SCHEMBL22925066

SCHEMBL22925066

CC(C)/N=C/c1ccc(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
GRIN2D O15399 4/20 0.35
GRIN3B O60391 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2B Q13224 4/20 0.35
GRIN2C Q14957 4/20 0.35
GRIN3A Q8TCU5 4/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MAOA P21397 2/20 0.33

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
SCHEMBL17434732 0.77 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL533849 0.77 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL533848 0.77 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6448339 0.76 MAPT (0.39) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6448341 0.76 MAPT (0.39) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL28407169 0.76 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL23863718 0.75 MAPT (0.32) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL5422596 0.74 MAOA (0.37) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL17981123 0.73 KMT2A (0.35) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL17981121 0.73 KMT2A (0.35) MAPTNPC1RAB9ASMN1; SMN2CYP1A2

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
WO-2021012264-A1 TRIAZOLE SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2021-01-28 WO disclosed