SCHEMBL31362009

SCHEMBL31362009

COCCCOc1ccnc(CSc2nc3ccccc3n2-c2cc[nH]n2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ WDR5 P61964 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ DDAH1 O94760 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ IDE P14735 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ OPRM1 P35372 1/20 0.44

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
SCHEMBL8502100 0.83 POLB (0.50) MAPTCYP2C9LMNAALDH1A1WDR5
SCHEMBL20387992 0.80 MAPT (0.43) MAPTCYP2C9LMNAALDH1A1WDR5
SCHEMBL31362026 0.80 CYP2C9 (0.41) MAPTCYP2C9LMNAALDH1A1WDR5
SCHEMBL31361994 0.78 MAPT (0.42) MAPTCYP2C9LMNAALDH1A1WDR5
SCHEMBL8500201 0.77 GAA (0.55) MAPTCYP2C9LMNAALDH1A1WDR5
SCHEMBL29538889 0.73 RAB9A (0.71) MAPTCYP2C9LMNAALDH1A1WDR5
SCHEMBL1306777 0.73 RAB9A (0.71) MAPTCYP2C9LMNAALDH1A1WDR5
SCHEMBL5738053 0.72 RAB9A (0.70) MAPTCYP2C9LMNAALDH1A1WDR5
SCHEMBL5738051 0.72 RAB9A (0.70) MAPTCYP2C9LMNAALDH1A1WDR5
SCHEMBL16312764 0.71 KMT2A (0.40) MAPTCYP2C9LMNAALDH1A1WDR5

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
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