SCHEMBL10696409

SCHEMBL10696409

CC1(C)C(=O)N(Cc2ccccc2)c2cc3[nH]c(-c4cccnc4)nc3cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
STAT1 P42224 1/20 0.50
LDHA P00338 1/20 0.44
EPHX2 P34913 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
HTT P42858 2/20 0.43
CYP11B1 P15538 1/20 0.43
KIT P10721 4/20 0.42
HSD17B10 Q99714 1/20 0.42
ELANE P08246 1/20 0.40
BACE1 P56817 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL10694210 0.89 PDE4A (0.51) HPGDALDH1A1KDM4ERAB9AMAPT
SCHEMBL10700213 0.88 AURKA (0.56) HPGDALDH1A1KDM4ERAB9AMAPT
SCHEMBL10695470 0.87 MAPT (0.49) HPGDALDH1A1KDM4ERAB9AMAPT
SCHEMBL10697571 0.86 MAPT (0.48) HPGDALDH1A1KDM4ERAB9AMAPT
SCHEMBL10696474 0.85 MAPT (0.47) HPGDALDH1A1KDM4ERAB9AMAPT
SCHEMBL10695484 0.84 MAPT (0.47) HPGDALDH1A1KDM4ERAB9AMAPT
SCHEMBL10698273 0.84 MAPT (0.47) HPGDALDH1A1KDM4ERAB9AMAPT
SCHEMBL10691668 0.83 MAPT (0.54) HPGDALDH1A1KDM4ERAB9AMAPT
SCHEMBL10696080 0.83 TDP1 (0.50) HPGDALDH1A1KDM4ERAB9AMAPT
SCHEMBL10696040 0.83 AURKA (0.49) KDM4ERAB9AMAPTNPC1SMN1; SMN2

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
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed