SCHEMBL3661287

SCHEMBL3661287

NC(=O)c1cccc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 4/20 0.74
PRKCI P41743 1/20 0.63
BRD4 O60885 1/20 0.54
PIK3CD O00329 3/20 0.50
HPGDS O60760 2/20 0.50
PIK3CB P42338 2/20 0.48
BRD9 Q9H8M2 1/20 0.47
CCNT1 O60563 1/20 0.47
CCND1 P24385 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47
CDK6 Q00534 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
PIK3CG P48736 1/20 0.47
DHPS P49366 1/20 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
SCHEMBL6319628 0.86 ASH1L (0.67) ASH1LPRKCIPIK3CDHPGDSPIK3CB
SCHEMBL30593676 0.85 ASH1L (1.00) ASH1LPIK3CDPIK3CBCSNK2BCSNK2A1
SCHEMBL21004055 0.85 ASH1L (0.74) ASH1LPRKCIBRD4PIK3CDHPGDS
SCHEMBL24196046 0.85 ASH1L (0.65) ASH1LPRKCIBRD4PIK3CDHPGDS
SCHEMBL19586716 0.85 ASH1L (1.00) ASH1LPIK3CDPIK3CBCSNK2BCSNK2A1
SCHEMBL3675588 0.82 ASH1L (0.74) ASH1LPRKCIBRD4CSNK2A1ABL1
SCHEMBL8440311 0.81 ASH1L (0.60) ASH1LPRKCIPIK3CDHPGDSPIK3CB
SCHEMBL10945814 0.78 PIK3CD (0.75) ASH1LPIK3CDHPGDSPIK3CBCDK8
SCHEMBL8440591 0.78 ASH1L (0.56) ASH1LPRKCIBRD4PIK3CDHPGDS
SCHEMBL982028 0.78 ASH1L (0.63) ASH1LPIK3CDPIK3CBCSNK2BCSNK2A1

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-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed