SCHEMBL9836345

SCHEMBL9836345

CN1C(=O)CCc2cc([Sn](C)(C)C)cnc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.47
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
ACVRL1 P37023 1/20 0.45
ACVR1 Q04771 1/20 0.45
CYP11B1 P15538 9/20 0.35
CYP19A1 P11511 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP17A1 P05093 1/20 0.35
SRD5A1 P18405 5/20 0.33
CYP3A4 P08684 2/20 0.32
SRD5A2 P31213 1/20 0.32
ALOX5 P09917 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
SCHEMBL46315 0.79 CYP11B2 (0.50) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL21831983 0.78 CYP11B2 (0.49) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL2051397 0.78 BMPR1B (0.50) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL31178367 0.78 CYP11B2 (0.49) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30404193 0.78 BMPR1B (0.50) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL25317019 0.78 CYP11B2 (0.49) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL25921027 0.78 CYP11B2 (0.49) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL7323714 0.73 GABRA5 (0.41) CYP11B2CYP11B1
SCHEMBL7412272 0.72 CYP11B2 (0.32) CYP11B2
SCHEMBL7404024 0.71 CYP11B2 (0.44) CYP11B2BMPR1BBMPR1AACVRL1ACVR1

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-0438446-A1 PYRIDAZINONE-, PYRAZOLONE- AND PYRIDONE-NAPHTHERIDINONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING SAME, AND THEIR USES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-07-31 EP disclosed
WO-1990003790-A1 PYRIDAZINONE-, PYRAZOLONE- AND PYRIDONE-NAPHTHERIDINONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1990-04-19 WO disclosed
US-4906629-A Pyridazinone and pyrazolone compounds, cardiotonic compositions including same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1990-03-06 US disclosed