SCHEMBL10698124

SCHEMBL10698124

CCN1C(=O)Cc2cc3nc(-c4ccncc4)n(C)c3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
BMPR1B O00238 2/20 0.39
BMPR1A P36894 2/20 0.39
ACVRL1 P37023 2/20 0.39
ACVR1 Q04771 2/20 0.39
TGFBR1 P36897 1/20 0.39
KIT P10721 4/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.37
BRD4 O60885 1/20 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
SCHEMBL10700170 0.88 BMPR1B (0.38) MEN1KMT2ABMPR1BBMPR1AACVRL1
SCHEMBL10698573 0.87 CYP11B1 (0.50) MEN1KMT2ABMPR1BBMPR1AACVRL1
SCHEMBL10695099 0.86 MEN1 (0.48) MEN1KMT2ABMPR1BBMPR1AACVRL1
SCHEMBL10697875 0.83 CYP11B1 (0.50) MEN1KMT2ABMPR1BBMPR1AACVRL1
SCHEMBL10699753 0.81 KDM4E (0.41) MEN1KMT2ABMPR1BBMPR1AACVRL1
SCHEMBL10699129 0.81 NPC1 (0.48) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL10700479 0.78 ALDH1A1 (0.46) MEN1KMT2ABMPR1BBMPR1AACVRL1
SCHEMBL10699542 0.77 CYP11B1 (0.47) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL10701670 0.77 NPC1 (0.48) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL10699166 0.76 BRD4 (0.51) MEN1KMT2AKITALDH1A1KDM4E

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