SCHEMBL29370792

SCHEMBL29370792

NC(=O)c1cn(-c2ccccc2-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.45
SCN9A Q15858 3/20 0.43
DGAT1 O75907 9/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
F10 P00742 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL23212137 1.00 BCAT2 (0.45) BCAT2SCN9ADGAT1CA12CA1
SCHEMBL14307992 0.81 PARP1 (0.54) SCN9ADGAT1CA12CA1CA2
SCHEMBL1765459 0.80 BCAT2 (0.49) BCAT2SCN9ACA12CA1CA2
SCHEMBL1493279 0.80 BCAT2 (0.45) BCAT2SCN9ACA12CA1CA2
SCHEMBL4484548 0.76 SCN9A (0.57) SCN9ADGAT1PARP1
SCHEMBL30198413 0.73 KLKB1 (0.42) DGAT1PARP1ALDH1A1
SCHEMBL408203 0.73 DGAT1 (0.54) DGAT1CA12CA1CA2CA9
SCHEMBL408713 0.73 NOTUM (0.43) DGAT1HSP90AA1
SCHEMBL16378282 0.72 DGAT1 (0.40) DGAT1PARP1KDM4E
SCHEMBL408668 0.72 DGAT1 (0.43) DGAT1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188094-A1 A PESTICIDALLY ACTIVE MIXTURE COMPRISING PYRAZOLOPYRIDINE ANTHRANILAMIDE COMPOUND, OXIDES OR SALTS THEREOF PI Industries Ltd. (IN) 2023-06-07 EP claimed
WO-2022023931-A1 A PESTICIDALLY ACTIVE MIXTURE COMPRISING PYRAZOLOPYRIDINE ANTHRANILAMIDE COMPOUND, OXIDES OR SALTS THEREOF PI INDUSTRIES LTD (IN) 2022-02-03 WO claimed
EP-4651716-A1 SOPHOROLIPIDS AND SOPHOROLIPID DERIVATIVES AS TANK MIX ADDITIVES AND ADJUVANTS IN CROP PROTECTION FORMULATIONS Locus Solutions IPCO, LLC (US) 2025-11-26 EP disclosed
WO-2024137625-A1 SOPHOROLIPIDS AND SOPHOROLIPID DERIVATIVES AS TANK MIX ADDITIVES AND ADJUVANTS IN CROP PROTECTION FORMULATIONS LOCUS SOLUTIONS IPCO, LLC (US) 2024-06-27 WO disclosed
EP-4065577-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-10-05 EP disclosed