SCHEMBL7515762

SCHEMBL7515762

NCc1cccc(CNC(=O)COCc2nc3ccccc3o2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
IDO1 P14902 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AOC3 Q16853 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7886119 0.92 LOXL2 (0.46) TP53SMN1; SMN2MAPK1CYP1A2CYP3A4
SCHEMBL7516002 0.88 P2RY14 (0.39) TP53MAPTKMT2A
SCHEMBL7520218 0.77 KMT2A (0.56) SMN1; SMN2MAPK1CYP1A2CYP2C19HPGD
SCHEMBL7518226 0.72 TSHR (0.48) TP53KDM4ENPC1ALDH1A1MAPT
SCHEMBL12210187 0.72 CYP1A2 (0.55) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL12210750 0.72 LIPG (0.53) TP53SMN1; SMN2MAPK1CYP1A2CYP3A4
SCHEMBL7512433 0.70 POLB (0.41) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL3826911 0.69 KMT2A (0.45) SMN1; SMN2CYP2C19HPGDNPC1ALDH1A1
SCHEMBL15680094 0.68 AOC3 (0.69) CYP1A2CYP2C9CYP2C19LOXL2HPGD
SCHEMBL25298238 0.68 TNKS (0.51) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007518-A4 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR INC (US) 2002-11-06 EP disclosed
EP-1007518-A1 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR, INC. (US) 2000-06-14 EP disclosed
WO-1999009017-A1 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR INC. (US) 1999-02-25 WO disclosed