SCHEMBL22702132

SCHEMBL22702132

CSc1cn(-c2ccccc2C(F)(F)F)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.48
▸ APP P05067 1/20 0.42
▸ AMY1A P0DUB6 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HSD11B1 P28845 1/20 0.37
▸ RXRA P19793 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36

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
SCHEMBL18377889 0.80 NOTUM (0.52) TRPV1APPAMY1AALDH1A1TDP1
SCHEMBL18367585 0.77 TRPV1 (0.49) TRPV1APPAMY1AALDH1A1TDP1
SCHEMBL19732301 0.76 TRPV1 (0.61) TRPV1APPAMY1AALDH1A1RXRA
SCHEMBL28875210 0.74 BCHE (0.60) TRPV1APPAMY1ALMNACA1
SCHEMBL21849198 0.71 TRPV1 (0.43) TRPV1APPAMY1AHSD11B1RXRA
SCHEMBL23557635 0.70 MIF (0.54) TRPV1APPCA1CA2CA5A
SCHEMBL21849514 0.67 TRPV1 (0.43) TRPV1APPAMY1AHSD11B1RXRA
SCHEMBL28329509 0.66 NOTUM (0.41) TRPV1RXRAGRIN1GRIN2BCA1
SCHEMBL4324877 0.66 ALDH1A1 (0.53) TRPV1ALDH1A1TDP1KMT2AMEN1
SCHEMBL27048495 0.65 AADAT (0.43) TRPV1APPALDH1A1TDP1KMT2A

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
EP-3319955-B1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 — — EP disclosed
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