SCHEMBL10699321

SCHEMBL10699321

CCN1C(=O)C(C)c2cc3nc(-c4cccnc4)[nH]c3cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
STAT1 P42224 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP11B1 P15538 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 2/20 0.44
LDHA P00338 1/20 0.44
EPHX2 P34913 1/20 0.44
KIT P10721 1/20 0.43
KMT2A Q03164 1/20 0.42
MAPK14 Q16539 1/20 0.42
GUSB P08236 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL10701672 0.89 MAPT (0.48) HPGDALDH1A1MAPTKDM4ERAB9A
SCHEMBL10698911 0.88 ALDH1A1 (0.47) HPGDALDH1A1MAPTKDM4ERAB9A
SCHEMBL10699100 0.87 ALDH1A1 (0.45) HPGDALDH1A1MAPTKDM4ERAB9A
SCHEMBL10695474 0.86 MAPT (0.54) HPGDALDH1A1MAPTKDM4ERAB9A
SCHEMBL10698629 0.82 SCD (0.43) HPGDALDH1A1SMN1; SMN2HSD17B10GUSB
SCHEMBL10530357 0.81 MAPT (0.48) HPGDALDH1A1MAPTKDM4ERAB9A
SCHEMBL10698880 0.80 CBFB (0.51) HPGDALDH1A1MAPTKDM4ERAB9A
SCHEMBL10698951 0.78 MAPT (0.52) HPGDALDH1A1MAPTKDM4ERAB9A
SCHEMBL10700213 0.78 AURKA (0.56) HPGDALDH1A1MAPTKDM4ERAB9A
SCHEMBL10698129 0.76 KDM4E (0.43) HPGDALDH1A1MAPTKDM4ERAB9A

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