SCHEMBL6964144

SCHEMBL6964144

CN(C)c1ccc(-c2nc(-c3ccccc3)oc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.52
MAPK14 Q16539 3/20 0.49
MAPK13 O15264 2/20 0.49
MAPK12 P53778 2/20 0.49
MAPK11 Q15759 2/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
MAPT P10636 3/20 0.48
CYP2C19 P33261 3/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 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
SCHEMBL19700319 1.00 NOX1 (0.52) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL8172158 1.00 NOX1 (0.52) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4651367 1.00 NOX1 (0.52) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13979705 0.92 RELA (0.51) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4650606 0.92 RELA (0.51) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4652218 0.92 RELA (0.51) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4650607 0.92 RELA (0.51) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4652223 0.92 RELA (0.51) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL9707139 0.91 NOX1 (0.45) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL9707136 0.91 NOX1 (0.45) NOX1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095937-B1 Process for the preparation of trisubstituted oxazoles OREAL (FR) 2003-03-12 EP disclosed
US-6333414-B1 BY REACTION OF THIOUREA WITH THE CORRESPONDING DIKETONE ESTER; CARRIED OUT UNDER REACTION CONDITIONS, PARTICULARLY WITH RESPECT TO PH, WHICH ARE INDUSTRIALLY MORE FAVORABLE. L'ORéAL S.A. (FR) 2001-12-25 US disclosed
EP-1095937-A1 Process for the preparation of trisubstituted oxazoles L'OREAL (FR) 2001-05-02 EP disclosed
US-4431722-A POLYCYCLIC QUINONE PIGMENT DISPERSED IN A RESIN BINDER AS CHARGE GENERATING LAYER; ANTIFOGGING AGENTS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-02-14 US disclosed