SCHEMBL8887345

SCHEMBL8887345

CCOc1cc([N+](=O)[O-])c(OCC)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
S1PR4 O95977 1/20 0.47
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
CYP3A4 P08684 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
SCHEMBL6370147 0.93 LMNA (0.49) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL11835695 0.85 MAPT (0.53) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL8944400 0.85 S1PR4 (0.50) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL6819520 0.85 LMNA (0.49) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL9651865 0.85 MAPT (0.55) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL8888172 0.83 THRB (0.49) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL3259695 0.82 MAPT (0.46) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL5562501 0.82 MAPT (0.59) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL11611705 0.82 MAPT (0.44) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL11577236 0.82 MAPT (0.44) LMNAMAPTNPSR1GAAMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2045452-A None JP disclosed
US-5642209-A FOR EXPOSING A PHOTOSENSITIVE SUBSTRATE BAKER KENNETH M (US) 1997-06-24 US disclosed
EP-0613028-A2 Directional light filter and holographic projector system for its production Baker, Kenneth M. (US) 1994-08-31 EP disclosed
JP-H0245452-A PRODUCTION OF 4-CHLORO-2,5-DIMETHOXYANILINE HOECHST AG 1990-02-15 JP disclosed
EP-0146007-B1 PROCESS FOR THE PREPARATION OF 5-HYDROXYETHYLSULPHONYL-2-AMINOPHENOL (OR ETHERS) HOECHST AKTIENGESELLSCHAFT (DE) 1986-12-30 EP disclosed
US-4613704-A SULFING, OXIDATION, REDUCTION HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-23 US disclosed
EP-0146007-A1 Process for the preparation of 5-hydroxyethylsulphonyl-2-aminophenol (or ethers) HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-26 EP disclosed
US-3947434-A 9-(P-phenylazoanilino)-7-methyl-1H-imidazo[4,5-f]quinolines MORTON-NORWICH PRODUCTS, INC. (US) 1976-03-30 US disclosed