SCHEMBL10698178

SCHEMBL10698178

CCN1C(=O)Cc2cc3c(cc21)NC(c1ccncc1)N3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 1/20 0.39
BMPR1B O00238 5/20 0.38
BMPR1A P36894 5/20 0.38
ACVRL1 P37023 5/20 0.38
ACVR1 Q04771 5/20 0.38
TGFBR1 P36897 3/20 0.38
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ATAD2 Q6PL18 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10698957 0.86 CYP1A2 (0.44) ALDH1A1KDM4EHSD17B10BRD4BMPR1B
SCHEMBL10699435 0.85 KMT2A (0.40) ALDH1A1BRD4BMPR1BBMPR1AACVRL1
SCHEMBL10698133 0.84 BRD4 (0.36) ALDH1A1KDM4EHSD17B10BRD4BMPR1B
SCHEMBL10697413 0.77 BMPR1B (0.39) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL10699540 0.77 TNKS2 (0.43) ALDH1A1KDM4EBMPR1BBMPR1AACVRL1
SCHEMBL10696613 0.76 AURKA (0.40) ALDH1A1KDM4EHSD17B10BRD4GAA
SCHEMBL10699106 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10BRD4GAA
SCHEMBL10698931 0.74 KDM4E (0.41) ALDH1A1KDM4EBMPR1BBMPR1AACVRL1
SCHEMBL10698582 0.74 CYP1A2 (0.41) ALDH1A1KDM4EBMPR1BBMPR1AACVRL1
SCHEMBL10698710 0.73 KMT2A (0.40) BMPR1BBMPR1AACVRL1ACVR1TGFBR1

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