SCHEMBL22721342

SCHEMBL22721342

NC(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 12/20 0.70
▸ PARP15 Q460N3 4/20 0.70
▸ PARP14 Q460N5 2/20 0.70
▸ PARP4 Q9UKK3 2/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ PARP16 Q8N5Y8 1/20 0.70
▸ PARP11 Q9NR21 1/20 0.70
▸ SLC6A2 P23975 1/20 0.58
▸ SLC6A4 P31645 1/20 0.58
▸ EPHX2 P34913 3/20 0.56
▸ FAAH O00519 2/20 0.56
▸ PARP3 Q9Y6F1 1/20 0.56
▸ PARP2 Q9UGN5 3/20 0.54
▸ TNKS O95271 1/20 0.54
▸ TNKS2 Q9H2K2 1/20 0.54
▸ ABL1 P00519 1/20 0.50
▸ BCR P11274 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50

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
SCHEMBL324161 0.94 PARP10 (0.59) PARP10PARP15PARP14PARP4ALDH1A1
Hydrochloric Acid SCHEMBL11888844 0.92 PARP10 (0.57) PARP10PARP15PARP14PARP4ALDH1A1
Hydrochloric Acid SCHEMBL3785321 0.92 PARP10 (0.57) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL22740915 0.89 PARP10 (0.53) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL8297933 0.89 ABL1 (0.56) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL20805842 0.88 EPHX2 (0.77) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL3697843 0.87 OPRM1 (0.59) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL5453961 0.84 ABL1 (0.63) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL3137816 0.84 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL6108041 0.83 EPHX2 (0.77) PARP10PARP15ALDH1A1EPHX2FAAH

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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