SCHEMBL30739737

SCHEMBL30739737

COc1c(F)cccc1C(=O)Nc1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
GAA P10253 2/20 0.58
MAPT P10636 5/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
GPR6 P46095 1/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.49
HSD17B10 Q99714 2/20 0.49

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
SCHEMBL30739855 0.83 CYP1A2 (0.65) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL15333128 0.83 CYP1A2 (0.65) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL20423296 0.83 CYP1A2 (0.61) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL30739687 0.82 LMNA (0.65) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL30739829 0.82 MAPT (0.60) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL30739587 0.81 MAPT (0.63) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL30599567 0.81 MAPT (0.71) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL20463260 0.80 CYP1A2 (0.57) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL20423426 0.79 CYP1A2 (0.56) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL30366969 0.79 CYP1A2 (0.56) NPC1RAB9ASMN1; SMN2GAAMAPT

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
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed