SCHEMBL25898836

SCHEMBL25898836

CCCCCn1cnc2cc(-c3ccc(C(F)(F)F)cn3)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 8/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTR7 P34969 1/20 0.38
▸ TNF P01375 2/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ CNR2 P34972 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
SCHEMBL25898843 0.88 NPC1 (0.47) DDR1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL25901097 0.86 NPC1 (0.41) DDR1NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL26796485 0.84 NPC1 (0.40) DDR1NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL25897799 0.84 TIPARP (0.41) DDR1SMN1; SMN2KDM4ETNFTLR8
SCHEMBL25322715 0.78 TIPARP (0.56) —
SCHEMBL25322719 0.78 TIPARP (0.56) —
SCHEMBL30550671 0.78 TIPARP (0.56) —
SCHEMBL25897855 0.76 LMNA (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL26796438 0.76 TIPARP (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL25899259 0.75 NPC1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2

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
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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