SCHEMBL9314211

SCHEMBL9314211

CC1(C)CC(=O)Nc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ TRPV1 Q8NER1 2/20 0.49
▸ TNKS O95271 1/20 0.49
▸ TNKS2 Q9H2K2 1/20 0.49
▸ RARB P10826 2/20 0.48
▸ RARG P13631 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CYP26A1 O43174 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ RARA P10276 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ BLVRB P30043 1/20 0.46
▸ NPC1 O15118 2/20 0.46

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
SCHEMBL9865756 0.90 MEN1 (0.55) MEN1KMT2ATRPV1TNKSTNKS2
SCHEMBL9866488 0.88 TNKS (0.52) MEN1KMT2AESR1TNKSTNKS2
SCHEMBL9314264 0.87 MEN1 (0.53) MEN1KMT2ATNKSTNKS2RARB
SCHEMBL9312256 0.87 RARB (0.51) MEN1KMT2ATNKSTNKS2RARB
SCHEMBL9375662 0.87 MAPT (0.56) MEN1KMT2ARXFP1MAPTRAB9A
SCHEMBL9313154 0.86 TNKS (0.50) MEN1KMT2ATNKSTNKS2RARB
SCHEMBL10587722 0.84 KMT2A (0.56) MEN1KMT2ARARBRARGMAPT
SCHEMBL9313806 0.83 ADORA3 (0.48) MEN1KMT2ARXFP1TNKSTNKS2
SCHEMBL9312238 0.83 RARB (0.56) MEN1KMT2AESR1TNKSTNKS2
SCHEMBL9314251 0.83 TRPV1 (0.60) TRPV1HDAC3HDAC4HDAC1HDAC2

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
US-5373019-A Pharmaceutical lactam compositions for inhibition of erythrocyte and thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1994-12-13 — — US disclosed
US-4985448-A Ureidoindoles, pharmaceutical compositions and methods for erythrocyte and thrombocyte aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1991-01-15 — — US disclosed
EP-0327986-A2 Medicaments containing lactams, substituted lactams and process for their preparation Roche Diagnostics GmbH (DE) 1989-08-16 — — EP disclosed
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