SCHEMBL9128372

SCHEMBL9128372

CCN(CC)CCOc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SGMS1 Q86VZ5 2/20 0.53
USP2 O75604 1/20 0.52
TBXA2R P21731 1/20 0.52
PPARG P37231 1/20 0.51
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PRMT1 Q99873 1/20 0.48
POLB P06746 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL9128239 0.88 SGMS1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL9127499 0.87 F2 (0.63) MEN1KMT2AALDH1A1SGMS1USP2
SCHEMBL9129452 0.84 MEN1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL9128700 0.82 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL23648967 0.81 MEN1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL9130180 0.80 MEN1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL9128585 0.80 SGMS1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL10589292 0.79 ALDH1A1 (0.86) MEN1KMT2AALDH1A1SMN1; SMN2TBXA2R
SCHEMBL9754552 0.78 MEN1 (0.84) MEN1KMT2AALDH1A1SMN1; SMN2TBXA2R
SCHEMBL9128346 0.78 SGMS1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed
EP-0564499-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1993-10-13 EP disclosed
WO-1992011234-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed