SCHEMBL22721364

SCHEMBL22721364

NC(=O)c1ccc(COc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 7/20 0.76
▸ MAOB P27338 6/20 0.74
▸ MRGPRX4 Q96LA9 2/20 0.57
▸ CYP19A1 P11511 1/20 0.56
▸ CYP11B1 P15538 1/20 0.56
▸ CYP11B2 P19099 1/20 0.56
▸ MMP1 P03956 1/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MMP14 P50281 1/20 0.53
▸ ADAM17 P78536 1/20 0.53
▸ F2 P00734 2/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ TMPRSS6 Q8IU80 1/20 0.53
▸ ST14 Q9Y5Y6 1/20 0.53
▸ PARP15 Q460N3 1/20 0.52
▸ PARP14 Q460N5 1/20 0.52
▸ PTPRC P08575 1/20 0.51

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
SCHEMBL22721344 0.86 MRGPRX4 (0.70) MRGPRX4CYP19A1CYP11B1CYP11B2PTPRC
SCHEMBL324161 0.85 PARP10 (0.59) PARP10MAOBPARP15PARP14
SCHEMBL30576796 0.85 MAOB (1.00) PARP10MAOBMRGPRX4NR4A2
SCHEMBL2348845 0.85 MAOB (0.74) MAOBMRGPRX4CYP19A1CYP11B1CYP11B2
SCHEMBL22721357 0.84 MRGPRX4 (0.71) MAOBMRGPRX4CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3785321 0.84 PARP10 (0.57) PARP10MAOBPARP15PARP14
Hydrochloric Acid SCHEMBL11888844 0.84 PARP10 (0.57) PARP10MAOBPARP15PARP14
SCHEMBL22386765 0.82 MRGPRX4 (0.55) PARP10MAOBMRGPRX4CYP19A1CYP11B1
SCHEMBL30745904 0.81 PTPRZ1 (0.72) PARP10MAOBF2PRSS1PRSS2
SCHEMBL8297933 0.80 ABL1 (0.56) PARP10MAOBMMP2MMP9PARP15

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-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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