SCHEMBL31361966

SCHEMBL31361966

COCCCOc1ccnc(CSc2nc3cc(N4CCNCC4)ccc3[nH]2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
OPRL1 P41146 10/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
WDR5 P61964 2/20 0.42
ALDH1A1 P00352 2/20 0.42
DDAH1 O94760 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
IDE P14735 1/20 0.42
HPGD P15428 1/20 0.42
ADRA2B P18089 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL31362016 0.93 CYP2C9 (0.49) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL31361975 0.92 CYP2C9 (0.48) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL31361963 0.87 CYP2C9 (0.45) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL31361965 0.86 CYP2C9 (0.50) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL31361960 0.85 CYP2C9 (0.52) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL8501299 0.84 CYP2C9 (0.55) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL31361973 0.83 CYP2C9 (0.49) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL8075662 0.82 CYP1A2 (0.49) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL8070729 0.82 CYP1A2 (0.49) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL8503057 0.82 CYP2C9 (0.53) CYP2C9NPC1RAB9ACYP1A2CYP3A4

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-119409683-A Benzimidazole compound and application thereof 中国药科大学 2025-02-11 CN disclosed