SCHEMBL10698951

SCHEMBL10698951

CCN1C(=O)Cc2cc3nc(-c4cccnc4)[nH]c3cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
STAT1 P42224 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP11B1 P15538 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP11B2 P19099 1/20 0.52
HTT P42858 1/20 0.46
LDHA P00338 1/20 0.45
EPHX2 P34913 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK14 Q16539 1/20 0.44
KIT P10721 1/20 0.43
KMT2A Q03164 1/20 0.43
GUSB P08236 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL10698920 0.88 MAPT (0.50) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL10698172 0.87 RHEB (0.49) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL10695333 0.86 ALDH1A1 (0.55) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL10699429 0.82 TOP1 (0.45) HPGDALDH1A1SMN1; SMN2HSD17B10GUSB
SCHEMBL10531292 0.81 MAPT (0.49) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL746915 0.79 CYP11B1 (0.80) CYP11B1CYP1A2CYP11B2BMPR1BBMPR1A
SCHEMBL10699321 0.78 HPGD (0.51) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL10700213 0.78 AURKA (0.56) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL10698573 0.77 CYP11B1 (0.50) CYP11B1CYP1A2CYP11B2KITKMT2A
SCHEMBL10697875 0.75 CYP11B1 (0.50) CYP11B1CYP1A2CYP11B2KITKMT2A

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