SCHEMBL23337972

SCHEMBL23337972

FC(F)(F)c1ccc(Nc2cc(Cl)nnc2Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.42
▸ GAA P10253 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ TEAD1 P28347 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ CDK5 Q00535 2/20 0.39
▸ CDK5R1 Q15078 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK3 P27361 1/20 0.38
▸ MAPK10 P53779 1/20 0.38

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
SCHEMBL11819244 0.79 JUN (0.41) TRPV1GAAMEN1KMT2AMAPT
SCHEMBL23337970 0.77 FGFR4 (0.48) GAAPOLBMEN1KMT2AMAPT
SCHEMBL30591768 0.75 TRPV1 (0.46) TRPV1GAAPOLBMEN1KMT2A
SCHEMBL23337968 0.74 TEAD1 (0.45) TRPV1TEAD1RAB9ANPC1MAPK3
SCHEMBL10584876 0.73 PTGS1 (0.49) TRPV1POLBTEAD1MAPTSMN1; SMN2
SCHEMBL23337973 0.72 TRPV1 (0.45) TRPV1TEAD1RAB9ANPC1MAPK3
SCHEMBL8989471 0.72 RAB9A (0.51) GAAPOLBMEN1KMT2AMAPT
SCHEMBL26112108 0.71 CDK2 (0.47) TRPV1GAAPOLBALDH1A1RPS6KA3
SCHEMBL6033031 0.70 TRPV1 (0.44) TRPV1GAAPOLBTEAD1ALDH1A1
SCHEMBL5929115 0.70 TRPV1 (0.58) TRPV1MAPK3MAPK10

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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