SCHEMBL23337973

SCHEMBL23337973

Fc1cc(Nc2ccc(C(F)(F)F)cn2)c(F)nn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.45
▸ MAPK10 P53779 1/20 0.41
▸ TEAD1 P28347 1/20 0.41
▸ MAPK3 P27361 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PTGS1 P23219 1/20 0.39

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
SCHEMBL23337968 0.75 TEAD1 (0.45) TRPV1MAPK10TEAD1MAPK3NPC1
SCHEMBL23337969 0.74 ALDH1A1 (0.46) RAB9A
SCHEMBL23337972 0.72 TRPV1 (0.42) TRPV1MAPK10TEAD1MAPK3NPC1
SCHEMBL8989471 0.69 RAB9A (0.51) NPC1RAB9APTGS1
SCHEMBL5929146 0.69 TRPV1 (0.64) TRPV1MAPK10MAPK3
SCHEMBL9358482 0.69 TEAD1 (0.55) TRPV1MAPK10TEAD1PTGS1
SCHEMBL22719743 0.69 TEAD1 (0.60) TRPV1MAPK10TEAD1
SCHEMBL10584876 0.69 PTGS1 (0.49) TRPV1TEAD1PTGS1
SCHEMBL17114620 0.68 NPC1 (0.63) NPC1RAB9A
SCHEMBL10582677 0.68 MAPT (0.57) RAB9A

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-2021081923-A1 2-PYRIDYLAMINE DERIVATIVE USED AS FUNGICIDE 江苏中旗科技股份有限公司 2021-05-06 — — WO disclosed
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