SCHEMBL9799434

SCHEMBL9799434

CCC(CCCc1ccccc1)(NC)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.37
▸ CHRM2 P08172 4/20 0.35
▸ CHRM1 P11229 4/20 0.35
▸ CHRM3 P20309 3/20 0.35
▸ ATM Q13315 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ OPRM1 P35372 1/20 0.34

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
SCHEMBL9799522 0.80 TUBB4A (0.39) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9799280 0.75 SIGMAR1 (0.40) NPC1CYP1A2CYP2C9CYP2C19SIGMAR1
SCHEMBL9799824 0.74 NPC1 (0.35) MEN1KMT2AL3MBTL1NPC1CYP1A2
SCHEMBL5915004 0.68 SMN1; SMN2 (0.43) L3MBTL1NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5914943 0.68 SMN1; SMN2 (0.43) L3MBTL1NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9799293 0.67 FDPS (0.38) L3MBTL1NPC1SIGMAR1KCNH2RAB9A
SCHEMBL14796960 0.64 GRM2 (0.44) MEN1KMT2ACHRM2CHRM1HTR1A
SCHEMBL4622787 0.64 CHRM3 (0.42) MEN1KMT2ANPC1CYP2C9CYP2C19
SCHEMBL3264636 0.64 CHRM3 (0.42) MEN1KMT2ANPC1CYP2C9CYP2C19
SCHEMBL1678550 0.63 ADRA1A (0.46) MEN1KMT2AL3MBTL1SIGMAR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298703-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 — — EP disclosed
US-4946862-A Thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1990-08-07 — — US disclosed
CN-1039245-A A kind of novel thiophene derivatives and its preparation method TANABE SEIYAKU CO (JP) 1990-01-31 — — CN disclosed
EP-0298703-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-11 — — EP disclosed
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