SCHEMBL10694215

SCHEMBL10694215

CC1(C)C(=O)N(Cc2ccccc2)c2cc3c(cc21)NC(c1ccncc1)N3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.46
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
ROCK1 Q13464 1/20 0.37
PGR P06401 1/20 0.37
CTSG P08311 1/20 0.36
PRTN3 P24158 1/20 0.36
HTT P42858 1/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL10696420 0.89 ELANE (0.43) ELANETDP1ALDH1A1KDM4EMAPT
SCHEMBL10696091 0.87 TDP1 (0.54) ELANETDP1ALDH1A1MAPTADAMTS5
SCHEMBL10696613 0.85 AURKA (0.40) TDP1ALDH1A1HSD17B10KDM4EPDE4A
SCHEMBL10696048 0.85 ELANE (0.44) ELANETDP1ALDH1A1KDM4EPGR
SCHEMBL10696042 0.84 ALDH1A1 (0.39) TDP1ALDH1A1HSD17B10KDM4EPDE4A
SCHEMBL10698603 0.83 ALDH1A1 (0.39) TDP1ALDH1A1HSD17B10KDM4EPDE4A
SCHEMBL10696397 0.82 ALDH1A1 (0.40) TDP1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL10698037 0.82 ALDH1A1 (0.38) TDP1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL10693698 0.81 KDM4E (0.40) ALDH1A1HSD17B10KDM4E
SCHEMBL10695498 0.80 ALDH1A1 (0.43) TDP1ALDH1A1HSD17B10KDM4EMAPT

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