SCHEMBL7951759

SCHEMBL7951759

CCOC(=O)/C=C/c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
P2RX3 P56373 3/20 0.34
DPP4 P27487 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
PPOX P50336 3/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
TTR P02766 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL7951761 1.00 PKM (0.35) PKMP2RX3DPP4IDO1TDO2
SCHEMBL7955801 0.90 APP (0.33) PPOXALDH1A1
SCHEMBL7955799 0.90 APP (0.33) PPOXALDH1A1
SCHEMBL7951701 0.88 XPO1 (0.33) RECQLSMN1; SMN2MAPTCA12CA1
SCHEMBL7951700 0.88 XPO1 (0.33) RECQLSMN1; SMN2MAPTCA12CA1
SCHEMBL10698389 0.86 CYP1A2 (0.33) SMN1; SMN2
SCHEMBL30739483 0.84 PPOX (0.38) PPOX
SCHEMBL27195493 0.84 PPOX (0.38) PPOX
SCHEMBL30739481 0.84 PPOX (0.38) PPOX
SCHEMBL6336900 0.81 BAZ2B (0.46) PKMSMN1; SMN2ALDH1A1MAPTBAZ2B

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
US-6207830-B1 REACTING AN ISOCYANATE WITH AN ENAMINE IN PRESENCE OF A BASE SYNGENTA CROP PROTECTION, INC. 2001-03-27 US claimed
EP-0831091-A2 Process for the production of 3-aryl-uracils Novartis AG (CH) 1998-03-25 EP claimed
US-6207830-B1 REACTING AN ISOCYANATE WITH AN ENAMINE IN PRESENCE OF A BASE SYNGENTA CROP PROTECTION, INC. 2001-03-27 US disclosed
EP-0831091-A2 Process for the production of 3-aryl-uracils Novartis AG (CH) 1998-03-25 EP disclosed