SCHEMBL15533402

SCHEMBL15533402

COc1cc(OC)c2cnc(-c3ccc(Br)cc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
PDGFRB P09619 3/20 0.48
PDGFRA P16234 3/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 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
SCHEMBL1304390 0.90 PDGFRB (0.51) ALDH1A1KMT2APDGFRBPDGFRAMEN1
SCHEMBL346309 0.86 PDGFRB (0.50) ALDH1A1KMT2APDGFRBPDGFRAMEN1
SCHEMBL348341 0.85 PDGFRB (0.67) ALDH1A1KMT2APDGFRBPDGFRAMEN1
SCHEMBL348350 0.84 CYP1A2 (0.47) ALDH1A1KMT2APDGFRBPDGFRAMEN1
SCHEMBL15329252 0.82 FYN (0.49) ALDH1A1KMT2APDGFRBPDGFRAMEN1
SCHEMBL15328208 0.81 MAPT (0.47) ALDH1A1KMT2APDGFRBPDGFRAMEN1
SCHEMBL23068690 0.81 CYP1A2 (0.54) ALDH1A1KMT2APDGFRBPDGFRAMEN1
SCHEMBL15327931 0.81 ALDH1A1 (0.44) ALDH1A1KMT2APDGFRBPDGFRAMEN1
SCHEMBL347611 0.81 ALDH1A1 (0.44) ALDH1A1KMT2APDGFRBPDGFRAMEN1
SCHEMBL15328263 0.80 PDGFRB (0.54) ALDH1A1KMT2APDGFRBPDGFRAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO disclosed