SCHEMBL30859440

SCHEMBL30859440

Cc1ccc(CS(=O)(=O)c2ccc(/C=C3\CCn4c3nc(=O)c3ccccc34)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMARCA4 P51532 6/20 0.52
▸ PBRM1 Q86U86 4/20 0.52
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL20704901 1.00 SMARCA4 (0.52) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL21993749 0.87 SMARCA4 (0.48) SMARCA4PBRM1NPC1RAB9AKMT2A
SCHEMBL21992747 0.87 SMARCA4 (0.58) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL21993752 0.85 SMARCA4 (0.56) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL30139674 0.83 SMARCA4 (0.57) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL21931874 0.83 SMARCA4 (0.57) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL30859441 0.83 SMARCA4 (0.57) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL20704903 0.83 SMARCA4 (0.52) SMARCA4PBRM1NPC1RAB9AKMT2A
SCHEMBL21931873 0.83 SMARCA4 (0.57) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL21992771 0.83 PBRM1 (0.64) SMARCA4PBRM1NPC1RAB9ACCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032039-B Compounds for the prevention and treatment of medical disorders and uses thereof 卡莱克汀科学有限责任公司 2024-03-26 — — CN disclosed
Send feedback