SCHEMBL9834375

SCHEMBL9834375

CC1C(=O)Nc2cc3[nH]c(O)nc3cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.36
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL9835975 0.84 CHRNB2 (0.46) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9835065 0.82 PGR (0.36) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9833156 0.82 FABP6 (0.46) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9834093 0.82 MAOB (0.34)
SCHEMBL9834590 0.82 PGR (0.40) PGRPDE3BPDE3APDE4APDE4B
SCHEMBL9834772 0.80
SCHEMBL9834583 0.80 HPGD (0.42) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9836111 0.80 HSD17B10 (0.47) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9834699 0.80 ADAMTS5 (0.38) PGR
SCHEMBL10567486 0.79 PDE4A (0.35) PGRBMPR1BBMPR1ATGFBR1ACVRL1

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 3 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-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed