SCHEMBL24339261

SCHEMBL24339261

OCc1ccn2cncc2c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.57
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
PRKCI P41743 2/20 0.38
NAMPT P43490 1/20 0.38
IDO1 P14902 2/20 0.33
RECQL P46063 1/20 0.32
CYP19A1 P11511 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
NR3C1 P04150 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL15435640 0.81 TBXAS1 (0.54) TBXAS1PRKCINAMPTIDO1BRD4
SCHEMBL19203784 0.79 TBXAS1 (0.58) TBXAS1PRKCINAMPTIDO1BRD4
SCHEMBL21037102 0.77 TBXAS1 (0.50) TBXAS1PRKCINAMPTIDO1RECQL
SCHEMBL23686560 0.77 TBXAS1 (0.50) TBXAS1PRKCINAMPTIDO1BRD4
SCHEMBL10647788 0.76 TBXAS1 (0.63) TBXAS1PRKCINAMPT
SCHEMBL26108096 0.75 TBXAS1 (0.48) TBXAS1NAMPT
SCHEMBL10977942 0.74 TBXAS1 (1.00) TBXAS1
SCHEMBL12381495 0.72 TBXAS1 (0.56) TBXAS1CYP11B1CYP11B2NAMPTIDO1
SCHEMBL10974966 0.71 TBXAS1 (0.67) TBXAS1CYP11B1CYP11B2NAMPT
SCHEMBL12093717 0.71 TBXAS1 (0.43) TBXAS1PRKCINAMPTIDO1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed