SCHEMBL9865203

SCHEMBL9865203

CC1(C)CC(=O)Nc2cc(NC(=O)c3ccc(-n4ccnc4)cc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.47
ROCK1 Q13464 1/20 0.47
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
ROCK2 O75116 1/20 0.46
TBXAS1 P24557 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 2/20 0.44
BAZ2B Q9UIF8 1/20 0.44
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
ADH5 P11766 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL9840136 0.85 ROCK1 (0.49) CRBNROCK1BRD4CREBBPROCK2
SCHEMBL9313154 0.84 TNKS (0.50) TNKSTNKS2KMT2AHTTL3MBTL1
SCHEMBL9312256 0.81 RARB (0.51) TNKSTNKS2KMT2ACYP3A4RARB
SCHEMBL9314264 0.81 MEN1 (0.53) TNKSTNKS2KMT2AMAPTCYP3A4
SCHEMBL9866488 0.80 TNKS (0.52) TNKSTNKS2KMT2ACYP3A4RARB
SCHEMBL9865756 0.79 MEN1 (0.55) TNKSTNKS2KMT2AMAPTCYP3A4
SCHEMBL9314211 0.78 MEN1 (0.50) TNKSTNKS2KMT2AMAPTCYP3A4
SCHEMBL10587722 0.78 KMT2A (0.56) KMT2AMAPTCYP3A4RARBRARG
SCHEMBL9379480 0.78 BACE1 (0.52) TNKSTNKS2KMT2AMAPTL3MBTL1
SCHEMBL9313806 0.77 ADORA3 (0.48) ROCK2TNKSTNKS2KMT2ACYP3A4

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