SCHEMBL9865756

SCHEMBL9865756

CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RARB P10826 2/20 0.49
RARG P13631 2/20 0.49
TRPV1 Q8NER1 4/20 0.48
DHPS P49366 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC11 Q96DB2 1/20 0.48
CYP26A1 O43174 1/20 0.47
PGR P06401 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
RARA P10276 1/20 0.47
TBXA2R P21731 1/20 0.47
BLVRB P30043 1/20 0.47
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47

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
SCHEMBL9314211 0.90 MEN1 (0.50) MEN1KMT2ARARBRARGTRPV1
SCHEMBL9312256 0.88 RARB (0.51) MEN1KMT2ARARBRARGHDAC3
SCHEMBL9314264 0.88 MEN1 (0.53) MEN1KMT2ARARBRARGHDAC3
SCHEMBL9866488 0.87 TNKS (0.52) MEN1KMT2ARARBRARGKCNK9
SCHEMBL9312241 0.85 MEN1 (0.52) MEN1KMT2ATRPV1DHPSKCNK9
SCHEMBL10587722 0.85 KMT2A (0.56) MEN1KMT2ARARBRARGKCNK9
SCHEMBL9313154 0.85 TNKS (0.50) MEN1KMT2ARARBRARGKCNK9
SCHEMBL9313806 0.84 ADORA3 (0.48) MEN1KMT2ARARBRARGHDAC3
SCHEMBL9312238 0.84 RARB (0.56) MEN1KMT2ARARBRARGHDAC3
SCHEMBL13763270 0.83 MEN1 (0.54) MEN1KMT2ARARBRARGTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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