SCHEMBL29923869

SCHEMBL29923869

COc1cc(OC)c2nccc(Br)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NSD2 O96028 1/20 0.41
CASP6 P55212 1/20 0.41
PDE4D Q08499 2/20 0.40
PDE10A Q9Y233 2/20 0.40
CCR1 P32246 1/20 0.39

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
SCHEMBL5262975 1.00 PDGFRB (0.42) PDGFRBPDGFRAKDM4EALDH1A1CYP3A4
SCHEMBL29923648 0.83 NSD2 (0.41) KDM4EALDH1A1HPGDMEN1CYP1A2
SCHEMBL17502531 0.83 NSD2 (0.41) KDM4EALDH1A1HPGDMEN1CYP1A2
SCHEMBL17502532 0.83 NSD2 (0.40) CYP3A4CYP1A2CYP2C19NSD2CASP6
SCHEMBL20292984 0.82 NSD2 (0.40) ALDH1A1CYP3A4MEN1CYP1A2MAPT
SCHEMBL3375901 0.82 CCR1 (0.38) KDM4EALDH1A1CYP3A4HSD17B10MEN1
SCHEMBL10290496 0.81 NSD2 (0.50) PDGFRBPDGFRAKDM4EALDH1A1CYP3A4
SCHEMBL11769024 0.80 PDE10A (0.40) PDGFRBPDGFRAKDM4EALDH1A1CYP3A4
SCHEMBL9073416 0.80 HSP90AA1 (0.50) PDGFRBPDGFRAKDM4EALDH1A1CYP3A4
SCHEMBL9073161 0.80 NOS3 (0.41) PDGFRBPDGFRAKDM4EALDH1A1CYP3A4

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
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed