SCHEMBL8938808

SCHEMBL8938808

COc1ccccc1Nc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 3/20 0.41
FFAR1 O14842 3/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL8938800 0.85 PNLIP (0.44) MAPTL3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL8938797 0.85 CYP1A2 (0.41) MAPTL3MBTL1NPSR1RAB9ARXFP1
SCHEMBL8938815 0.83 TDP1 (0.57) MAPTL3MBTL1NPSR1RXFP1MEN1
SCHEMBL10838585 0.81 L3MBTL1 (0.58) MAPTL3MBTL1NPSR1RAB9ACYP1A2
SCHEMBL31694841 0.80 L3MBTL1 (0.63) MAPTL3MBTL1NPSR1RAB9ACYP1A2
SCHEMBL11232669 0.80 L3MBTL1 (0.63) MAPTL3MBTL1NPSR1RAB9ACYP1A2
SCHEMBL10605270 0.76 L3MBTL1 (0.52) MAPTL3MBTL1NPSR1RAB9ACYP1A2
SCHEMBL9373448 0.75 L3MBTL1 (0.52) MAPTL3MBTL1NPSR1RAB9ACYP1A2
SCHEMBL7803938 0.75 ESRRA (0.53) MAPTL3MBTL1NPSR1RAB9ACYP1A2
SCHEMBL9325908 0.74 FFAR1 (0.50) MAPTL3MBTL1NPSR1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484762-A Aryloxy-n-(substituted phenyl) benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 US disclosed