SCHEMBL31069372

SCHEMBL31069372

Cn1c(=O)n(Cc2nc3cc(C(C)(C)N)ccc3n2CCCS(C)(=O)=O)c2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TBXA2R P21731 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PARG Q86W56 1/20 0.33

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
SCHEMBL31069348 0.86 TBXA2R (0.37) TBXA2R
SCHEMBL31069436 0.77 TBXA2R (0.37) TBXA2RCNR2
SCHEMBL31069355 0.75
SCHEMBL31069283 0.75 CYP3A4 (0.42)
SCHEMBL31069334 0.74 CNR2 (0.35) CNR2
SCHEMBL31069307 0.74 AGTR1 (0.39)
SCHEMBL31069321 0.74 CYP3A4 (0.31)
SCHEMBL31069290 0.74
SCHEMBL31069369 0.73 CYP3A4 (0.42)
SCHEMBL31069319 0.72 AGTR1 (0.42) TBXA2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024174953-A1 BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF 苏州隆博泰药业有限公司 2024-08-29 WO claimed
WO-2024174953-A1 BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF 苏州隆博泰药业有限公司 2024-08-29 WO disclosed