SCHEMBL10354577

SCHEMBL10354577

CCn1cnc2cc(S(=O)(=O)N(C)C)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 5/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
GAA P10253 4/20 0.49
KMT2A Q03164 4/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.45
RECQL P46063 1/20 0.45
P2RX3 P56373 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
USP2 O75604 1/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL9678684 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL8875650 0.84 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL8874396 0.84 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL9127426 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL8875433 0.80 SMN1; SMN2 (0.60) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL13508800 0.79 P2RX3 (0.53) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL9297717 0.79 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL2568138 0.74 KDM4E (0.65) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL10600757 0.72 NPC1 (0.62) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL3837069 0.71 HDAC1 (0.51) ALDH1A1KDM4ELMNAHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4539408-A Process for the preparation of sulphoalkyl quaternary salts AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-09-03 US 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-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