SCHEMBL31375496

SCHEMBL31375496

Cc1ccc(-c2ccc(C(F)(F)F)c(C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.53
▸ CYP11B2 P19099 1/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ SDHB P21912 1/20 0.42
▸ AR P10275 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RAD51 Q06609 1/20 0.38
▸ ENPP3 O14638 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ FUBP1 Q96AE4 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 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
SCHEMBL31375574 0.82 SMN1; SMN2 (0.39) CYP11B1CYP11B2SMN1; SMN2KDM4EALDH1A1
SCHEMBL26375525 0.79 KDM1A (0.46) CYP11B1CYP11B2SMN1; SMN2KDM4EALDH1A1
SCHEMBL26375527 0.74 PTPN1 (0.40) ARALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8989162 0.74 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL22337526 0.73 KMT2A (0.44) CYP11B1CYP11B2SMN1; SMN2SDHBKDM4E
SCHEMBL26375530 0.71 KDM1A (0.40) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13865687 0.71 RAB9A (0.39) CYP11B1CYP11B2ALDH1A1MAPTL3MBTL1
SCHEMBL28881729 0.70 TRPV3 (0.48) CYP11B1CYP11B2ALDH1A1MAPTPOLB
SCHEMBL26375523 0.70 TRPV3 (0.47) POLBGAA
SCHEMBL21139679 0.70 KDM4E (0.42) CYP11B1CYP11B2SMN1; SMN2KDM4EALDH1A1

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-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 — — CN disclosed
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