SCHEMBL22721370

SCHEMBL22721370

NC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.76
▸ EPHX2 P34913 3/20 0.61
▸ HDAC3 O15379 1/20 0.61
▸ HDAC4 P56524 1/20 0.61
▸ HDAC1 Q13547 1/20 0.61
▸ HDAC7 Q8WUI4 1/20 0.61
▸ HDAC2 Q92769 1/20 0.61
▸ HDAC10 Q969S8 1/20 0.61
▸ HDAC11 Q96DB2 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ HDAC9 Q9UKV0 1/20 0.61
▸ HDAC5 Q9UQL6 1/20 0.61
▸ KMT2A Q03164 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ NAMPT P43490 2/20 0.60
▸ FAAH O00519 2/20 0.58
▸ NPC1 O15118 1/20 0.58

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
SCHEMBL677496 0.88 TRPV1 (0.76) TRPV1EPHX2HDAC3HDAC4HDAC1
SCHEMBL683816 0.88 TRPV1 (0.76) TRPV1EPHX2HDAC3HDAC4HDAC1
SCHEMBL23657648 0.86 TRPV1 (0.78) TRPV1EPHX2HDAC3HDAC4HDAC1
SCHEMBL5539768 0.86 TRPV1 (0.78) TRPV1EPHX2HDAC3HDAC4HDAC1
SCHEMBL5453961 0.86 ABL1 (0.63) TRPV1EPHX2KMT2AFAAHMAPT
SCHEMBL20805842 0.85 EPHX2 (0.77) TRPV1EPHX2HDAC3HDAC4HDAC1
SCHEMBL324161 0.85 PARP10 (0.59) TRPV1EPHX2KMT2AFAAHNPC1
SCHEMBL22815834 0.85 TRPV1 (0.76) TRPV1EPHX2HDAC3HDAC4HDAC1
SCHEMBL4878398 0.85 TRPV1 (0.76) TRPV1EPHX2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL5797909 0.85 TRPV1 (0.76) TRPV1EPHX2HDAC3HDAC4HDAC1

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
WO-2020241632-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT 日本曹達株式会社 2020-12-03 — — WO disclosed
WO-2020241632-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT 日本曹達株式会社 2020-12-03 — — WO disclosed
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