SCHEMBL30739787

SCHEMBL30739787

O=C(Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.65
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GAA P10253 1/20 0.61
P2RX1 P51575 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 2/20 0.57
KCNK3 O14649 1/20 0.57
RXFP1 Q9HBX9 1/20 0.56
KCNQ3 O43525 1/20 0.55
KCNQ2 O43526 1/20 0.55
KCNE1 P15382 1/20 0.55

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
SCHEMBL30739990 0.85 RAB9A (0.72) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL29921496 0.84 PTGS1 (0.62) PTGS1RAB9ANPC1GAAP2RX1
SCHEMBL29071537 0.84 PTGS1 (0.62) PTGS1RAB9ANPC1GAAP2RX1
SCHEMBL30739967 0.81 LMNA (0.78) PTGS1RAB9ANPC1P2RX1LMNA
SCHEMBL20578052 0.81 PTGS1 (0.74) PTGS1RAB9ANPC1GAAP2RX1
SCHEMBL6588596 0.81 HDAC1 (0.77) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL30369924 0.81 HDAC1 (0.77) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL7617870 0.80 KDM4E (0.69) RAB9ANPC1SMN1; SMN2GAALMNA
SCHEMBL19233515 0.80 PTGS1 (0.68) PTGS1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL30739884 0.80 RAB9A (0.69) RAB9ANPC1SMN1; SMN2GAALMNA

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