SCHEMBL854895

SCHEMBL854895

CC(=O)OCCc1ccc(C2=NCC(c3cc(C(F)(F)F)nc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PRKCE Q02156 1/20 0.34
SCN9A Q15858 1/20 0.34
KIT P10721 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGS2 P35354 2/20 0.31
SYK P43405 2/20 0.31
MAPT P10636 1/20 0.31
FABP4 P15090 1/20 0.30

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
SCHEMBL854560 0.83 SYK (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1PTGS2
SCHEMBL856315 0.81 NOTUM (0.36) NPC1RAB9ASMN1; SMN2KITL3MBTL1
SCHEMBL855418 0.80 NOTUM (0.36) NPC1RAB9ASMN1; SMN2KITL3MBTL1
SCHEMBL855480 0.73 PTGS2 (0.31) PTGS2
SCHEMBL854507 0.72 NOTUM (0.35) KIT
SCHEMBL855170 0.72 PDE3B (0.31)
SCHEMBL854921 0.72 PTGS2 (0.30) PTGS2
SCHEMBL854624 0.71 PTGS2 (0.31) PTGS2
SCHEMBL854959 0.70 NOTUM (0.35) NPC1RAB9ASMN1; SMN2KITL3MBTL1
SCHEMBL855479 0.70 NOTUM (0.37) NPC1RAB9ASMN1; SMN2KITL3MBTL1

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
EP-2432762-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2012-03-28 EP disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed