SCHEMBL24528

SCHEMBL24528

Cc1cccc(-n2c(C)nc3cc(C4CCCC[N]4)ccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL15033453 0.76 ATM (0.58) TP53ATMALDH1A1HPGDMAPT
SCHEMBL6558765 0.75 HTR2C (0.45) HPGDMAPTLMNAHTTSMN1; SMN2
SCHEMBL24529 0.72 TP53 (0.55) TP53ATMALDH1A1HPGDMAPT
SCHEMBL19275967 0.71 MAPK1 (0.72) TP53ATMALDH1A1HPGDHSD17B10
SCHEMBL3169257 0.70 HTR2C (0.46) MAPTLMNAHTTKDM4ESMN1; SMN2
SCHEMBL23791 0.70 TP53 (0.53) TP53ATMALDH1A1HPGDMAPT
SCHEMBL25411 0.68 HSD17B10 (0.80) TP53ATMALDH1A1HPGDMAPT
SCHEMBL15020819 0.67 HPGD (0.82) TP53ATMALDH1A1HPGDMAPT
SCHEMBL1104823 0.66 ALDH1A1 (0.71) ATMALDH1A1THRBHSD17B10HTT
SCHEMBL3153900 0.66 ALDH1A1 (0.37) TP53ATMALDH1A1HPGDMAPT

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
EP-2610255-B1 1H-Benzo[d]imidazol-5-yl compounds and composition for treating inflammatory diseases NEOPHARM CO LTD (KR) 2016-02-24 EP disclosed
EP-2610255-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME Neopharm Co., Ltd. (KR) 2013-07-03 EP disclosed