SCHEMBL9835252

SCHEMBL9835252

CCCC1Nc2cc3c(cc2N1)C(C)C(=O)N3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.40
MAPT P10636 4/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
NQO2 P16083 1/20 0.32
BRPF1 P55201 1/20 0.31
CREBBP Q92793 1/20 0.31
GAA P10253 1/20 0.31
IDO1 P14902 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL9834779 0.84 PGR (0.47) PGRMAPTLMNATP53NQO2
SCHEMBL9835978 0.80 PGR (0.43) PGRTP53BMPR1BBMPR1ATGFBR1
SCHEMBL9834636 0.79 ALDH1A1 (0.37) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9833162 0.77 PGR (0.41) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9834389 0.77 PGR (0.41) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9835070 0.77 PGR (0.41) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9836114 0.74 PGR (0.39) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9834592 0.74 PGR (0.39) PGRMAPTBMPR1BBMPR1ATGFBR1
SCHEMBL9833820 0.73 PGR (0.38) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9834705 0.72 NQO2 (0.39) PGRMAPTLMNATP53NQO2

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