SCHEMBL9832702

SCHEMBL9832702

CC1C(=O)Nc2cc3c(cc21)NC(c1ccccc1)N3

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 6/20 0.45
PGR P06401 2/20 0.43
BRPF1 P55201 1/20 0.40
CREBBP Q92793 1/20 0.40
PBRM1 Q86U86 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
TNKS O95271 2/20 0.36
PARP3 Q9Y6F1 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10477811 0.83 MEN1 (0.46) PGRCREBBPKMT2AMEN1NPC1
SCHEMBL9834376 0.82 PGR (0.47) TNKS2PGRPBRM1KMT2AMEN1
SCHEMBL10375402 0.81 TNKS2 (0.42) TNKS2BRPF1CREBBPPBRM1KMT2A
SCHEMBL10567309 0.79 PGR (0.36) PGRALDH1A1KDM4EHSD17B10
SCHEMBL10567107 0.79 PGR (0.36) PGR
SCHEMBL9835978 0.79 PGR (0.43) PGRBRPF1CREBBP
SCHEMBL10569186 0.78 PGR (0.40) PGRBRPF1CREBBP
SCHEMBL10567514 0.77 PGR (0.34) PGR
SCHEMBL9832940 0.76 KDM4E (0.49) TNKS2PBRM1KMT2AMEN1NPC1
SCHEMBL18314788 0.76 KMT2A (0.59) TNKS2PBRM1KMT2AMEN1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4810801-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1989-03-07 US disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
US-4710510-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-12-01 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed
EP-0186010-A1 Pyrrolo benzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1986-07-02 EP disclosed