SCHEMBL8469485

SCHEMBL8469485

COc1ccc2c(c1)C(C)(C)CN2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
SNCA P37840 2/20 0.44
MAPKAPK2 P49137 1/20 0.43
PDE7A Q13946 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR5A P47898 2/20 0.41
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3794066 0.83 HSPA9 (0.49) PDE3BPDE3ASNCAPDE7AMAOA
SCHEMBL10828062 0.81 TLK2 (0.38) ALDH1A1KMT2A
SCHEMBL10828080 0.81 MEN1 (0.46) MAOAMAOBALDH1A1MAPTKMT2A
SCHEMBL28026451 0.81 PKM (0.51) PDE3BPDE3AALDH1A1KMT2AMEN1
SCHEMBL3177100 0.77 KCNH2 (0.43) PDE3BPDE3AHTR5A
SCHEMBL5738533 0.77 MAPKAPK2 (0.52) PDE3BPDE3AMAPKAPK2PDE7AALDH1A1
SCHEMBL1607884 0.76 CYP1A2 (0.41) ALDH1A1HTR5AMAPTKMT2AMEN1
SCHEMBL2206655 0.75 PDE3B (0.53) PDE3BPDE3ASNCAMAPKAPK2PDE7A
SCHEMBL16494210 0.74 MRGPRX2 (0.41) MAOAMAOB
SCHEMBL1721762 0.74 HTR2A (0.57) PDE7AHTR5AKMT2AMEN1AKR1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112980194-A LED packaging material and preparation method thereof 杭州安誉科技有限公司 2021-06-18 CN claimed
US-4622336-A ANALGESICS SANDOZ LTD. (CH) 1986-11-11 US claimed
CN-112980194-B LED packaging material and preparation method thereof 杭州安誉科技有限公司 2022-04-12 CN disclosed
CN-112980194-A LED packaging material and preparation method thereof 杭州安誉科技有限公司 2021-06-18 CN disclosed
WO-2012163898-A1 DYE COMPOSITION USING A (HYDROXY)INDOLINE COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESS AND DEVICES L'OREAL (FR) 2012-12-06 WO disclosed
US-5968725-A MATERIAL COMPRISING ON SUPPORT SILVER HALIDE PHOTOSENSITIVE LAYER CONTAINING ORGANIC SILVER SALT, REDUCING AGENT, ULTRAHIGH CONTRAST PROMOTING AGENT, SELECTED HETEROCYCLIC MERCAPTO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1999-10-19 US disclosed
US-5236807-A Negative, hydrazine compound FUJI PHOTO FILM CO., LTD. (JP) 1993-08-17 US disclosed
EP-0222970-B1 SULPHOALKYLATION PROCESS Agfa-Gevaert AG (DE) 1990-10-24 EP disclosed
US-4883880-A Process for the preparation of sulfoalkyl quaternary salts and for the production of alkane sultones AGFA-GEVAERT AKTIENGESSELLSCHAFT (DE) 1989-11-28 US disclosed
US-4769316-A Method for restraining the formation of re-reversal negative image in direct positive silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-09-06 US disclosed
EP-0222970-A1 Sulphoalkylation process Agfa-Gevaert AG (DE) 1987-05-27 EP disclosed
US-4504668-A Process for the preparation of N-sulfoalkyl quaternary salts of nitrogen heterocyclics AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-03-12 US disclosed
EP-0064667-B1 PROCESS FOR THE PREPARATION OF SULFOALKYL QUATERNARY SALTS Agfa-Gevaert AG (DE) 1984-11-28 EP disclosed
EP-0055428-B1 BIS-(3-SULFOPROPYL)ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ALKYLATING AGENTS FOR ORGANIC BASES Agfa-Gevaert AG (DE) 1984-03-14 EP disclosed
WO-1983002610-A1 DERIVATIVES OF 3,3-DIALKYL-INDOLIN AND OF 3,3-ALKYLENE-INDOLIN, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SANDOZ AG (CH) 1983-08-04 WO disclosed
EP-0034279-B1 SULFOALKYLATING AGENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE MANUFACTURE OF QUANTERNARY SULFOALKYL SALTS Agfa-Gevaert AG (DE) 1983-06-22 EP disclosed
EP-0064667-A1 Process for the preparation of sulfoalkyl quaternary salts Agfa-Gevaert AG (DE) 1982-11-17 EP disclosed
EP-0055428-A1 Bis-(3-sulfopropyl)ethers, process for their preparation and their use as alkylating agents for organic bases Agfa-Gevaert AG (DE) 1982-07-07 EP disclosed
US-4308390-A Process for the production of sulphoalkyl quaternary salts AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1981-12-29 US disclosed
EP-0034279-A2 Sulfoalkylating agents, process for their preparation and their use in the manufacture of quanternary sulfoalkyl salts Agfa-Gevaert AG (DE) 1981-08-26 EP disclosed