SCHEMBL9593239

SCHEMBL9593239

O=C(O)COc1cccc(-c2ocnc2-c2nc(-c3ccsc3)c(-c3ccsc3)o2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.80
HPGD P15428 2/20 0.80
KDM4E B2RXH2 1/20 0.80
MEN1 O00255 1/20 0.80
CYP1A2 P05177 1/20 0.80
CYP3A4 P08684 1/20 0.80
CYP2D6 P10635 1/20 0.80
KMT2A Q03164 1/20 0.80
HSD17B10 Q99714 1/20 0.80
FABP4 P15090 8/20 0.57
PTGIR P43119 4/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
FABP5 Q01469 3/20 0.38
FABP3 P05413 2/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
KDR P35968 1/20 0.37
CARM1 Q86X55 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL29640642 0.89 KDM4E (1.00) ALDH1A1HPGDKDM4EMEN1CYP1A2
SCHEMBL674739 0.89 KDM4E (1.00) ALDH1A1HPGDKDM4EMEN1CYP1A2
SCHEMBL9593730 0.86 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMEN1CYP1A2
SCHEMBL19163857 0.81 KDM4E (0.85) ALDH1A1HPGDKDM4EMEN1CYP1A2
SCHEMBL9428515 0.79 MEN1 (0.82) ALDH1A1HPGDKDM4EMEN1CYP1A2
SCHEMBL9452943 0.77 FABP4 (0.49) ALDH1A1HPGDKDM4EMEN1CYP1A2
SCHEMBL9261099 0.76 LMNA (0.53) ALDH1A1HPGDKDM4EMEN1CYP1A2
SCHEMBL9428853 0.76 KDM4E (0.76) ALDH1A1HPGDKDM4EMEN1CYP1A2
SCHEMBL8066970 0.75 FABP4 (0.79) ALDH1A1HPGDKDM4EMEN1CYP1A2
SCHEMBL14698129 0.75 KDM4E (0.74) ALDH1A1HPGDKDM4EMEN1CYP1A2

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-5254576-A Diphenyl-heterocyclic-oxazole as platelet aggregation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1993-10-19 US claimed
US-5254576-A Diphenyl-heterocyclic-oxazole as platelet aggregation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1993-10-19 US disclosed