SCHEMBL10700217

SCHEMBL10700217

CCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1cccnc1)N3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
MARK3 P27448 1/20 0.37
KCNA5 P22460 3/20 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
SCHEMBL10696318 0.92 KDM4E (0.41) KDM4EMAPTRAB9AMEN1MAPK1
SCHEMBL10696477 0.90 KDM4E (0.42) KDM4EMAPTRAB9AMEN1MAPK1
SCHEMBL10695491 0.89 MAPT (0.42) KDM4EMAPTRAB9AMEN1MAPK1
SCHEMBL10697577 0.89 KDM4E (0.40) KDM4EMAPTRAB9AMEN1MAPK1
SCHEMBL10698284 0.87 MEN1 (0.39) KDM4EMAPTRAB9AMEN1MAPK1
SCHEMBL10696420 0.87 ELANE (0.43) KDM4EMAPTRAB9AMEN1MAPK1
SCHEMBL10696613 0.86 AURKA (0.40) KDM4EKMT2AHTTTSHRALDH1A1
SCHEMBL10691679 0.86 KDM4E (0.45) KDM4EMAPTRAB9AMEN1MAPK1
SCHEMBL10699508 0.85 AURKA (0.39) AURKAAURKBMARK3BRD4CHEK1
SCHEMBL10699079 0.85 HTT (0.39) KDM4EMAPTRAB9AMEN1MAPK1

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