SCHEMBL24529

SCHEMBL24529

Cc1cccc(-n2c(C)nc3cc(N4CCCCC4)ccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.55
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.50
TERT O14746 2/20 0.47
MAPT P10636 1/20 0.46
ADRB1 P08588 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.44
LMNA P02545 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
SCHEMBL15033453 0.83 ATM (0.58) TP53HPGDALDH1A1ATMMAPT
SCHEMBL15020819 0.80 HPGD (0.82) TP53HPGDALDH1A1ATMMAPT
SCHEMBL3307690 0.80 ADRB1 (0.67) TP53HPGDALDH1A1MAPTADRB1
SCHEMBL17281442 0.80 ADRB1 (0.67) TP53HPGDALDH1A1MAPTADRB1
SCHEMBL23791 0.79 TP53 (0.53) TP53HPGDALDH1A1ATMMAPT
Hydrochloric Acid SCHEMBL1803475 0.78 ADRB1 (0.65) TP53HPGDALDH1A1MAPTADRB1
SCHEMBL12991 0.78 ADRB1 (0.69) TP53HPGDALDH1A1MAPTADRB1
SCHEMBL19275967 0.77 MAPK1 (0.72) TP53HPGDALDH1A1ATMKDM4E
SCHEMBL8264176 0.74 ADRB1 (0.69) HPGDALDH1A1MAPTADRB1KDM4E
SCHEMBL25411 0.74 HSD17B10 (0.80) TP53HPGDALDH1A1ATMMAPT

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