SCHEMBL9428853

SCHEMBL9428853

Cc1nc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c(-c2cccc(OCC(=O)O)c2)o1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.76
MEN1 O00255 1/20 0.76
ALDH1A1 P00352 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
HPGD P15428 1/20 0.76
KMT2A Q03164 1/20 0.76
HSD17B10 Q99714 1/20 0.76
FABP4 P15090 8/20 0.73
PTGIR P43119 4/20 0.52
FABP5 Q01469 3/20 0.51
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
PPARD Q03181 3/20 0.49
FABP3 P05413 2/20 0.48

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
SCHEMBL9428515 0.91 MEN1 (0.82) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8066970 0.86 FABP4 (0.79) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL29640642 0.86 KDM4E (1.00) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL674739 0.86 KDM4E (1.00) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL30398835 0.84 FABP4 (1.00) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9428317 0.84 FABP4 (1.00) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL14528476 0.83 FABP4 (0.77) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9429123 0.83 KDM4E (0.53) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL19163857 0.80 KDM4E (0.85) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8072043 0.79 FABP4 (0.61) KDM4EMEN1ALDH1A1CYP1A2CYP3A4

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
US-5348969-A Oxazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1994-09-20 US claimed