SCHEMBL31361964

SCHEMBL31361964

COCCCOc1cccc(CSc2nc3cc(-n4cccc4)ccc3[nH]2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
PTGS2 P35354 3/20 0.39
AR P10275 2/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
OPRL1 P41146 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 1/20 0.36
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 3/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL31361960 0.86 CYP2C9 (0.52) SMN1; SMN2LMNAKMT2AMAPTHTT
SCHEMBL7964010 0.76 SMN1; SMN2 (0.61) SMN1; SMN2LMNAKMT2AMAPTHTT
SCHEMBL7964121 0.76 SMN1; SMN2 (0.61) SMN1; SMN2LMNAKMT2AMAPTHTT
SCHEMBL2385445 0.76 CYP2D6 (0.53) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL31361973 0.76 CYP2C9 (0.49) SMN1; SMN2LMNAKMT2AMAPTHTT
SCHEMBL31361965 0.74 CYP2C9 (0.50) SMN1; SMN2LMNAKMT2AMAPTHTT
SCHEMBL31362016 0.73 CYP2C9 (0.49) SMN1; SMN2LMNAKMT2AMAPTHTT
SCHEMBL17586502 0.73 CYP1A2 (0.47) LMNAKMT2AMAPTARALDH1A1
SCHEMBL31361975 0.73 CYP2C9 (0.48) SMN1; SMN2LMNAKMT2AMAPTHTT
SCHEMBL27430931 0.72 RAB9A (0.47) SMN1; SMN2LMNAKMT2AMAPTHTT

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