SCHEMBL29804315

SCHEMBL29804315

COc1c(O)ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA2 P00918 1/20 0.38
HSD17B1 P14061 4/20 0.38
HSD17B2 P37059 4/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TUBB1 Q9H4B7 2/20 0.37
MAOB P27338 1/20 0.35
MAOA P21397 1/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL22208484 1.00 TDP1 (0.39) TDP1CA1CA9CA12CA7
SCHEMBL30716435 0.85 CA3 (0.31) CA9HSD17B1HSD17B2TUBB1CA3
SCHEMBL29131439 0.85 CA3 (0.31) CA9HSD17B1HSD17B2TUBB1CA3
SCHEMBL23780812 0.82 MEP1B (0.41) TDP1CA1CA9CA12CA7
SCHEMBL1994314 0.80 MEP1B (0.41) CA1CA9CA12CA7CA2
SCHEMBL26631843 0.80 TDP1 (0.38) TDP1CA1CA9CA12CA7
SCHEMBL31085196 0.78 ALOX5AP (0.38) TDP1CA1CA9CA12CA7
SCHEMBL69925 0.77 TDP1 (0.52) TDP1CA1CA9CA12CA7
SCHEMBL29403778 0.77 TDP1 (0.52) TDP1CA1CA9CA12CA7
Nitrogen SCHEMBL29123071 0.76 MEP1B (0.39) TUBB1MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583867-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2025-07-16 EP disclosed
CN-119894509-A Sodium channel blocking compounds, derivatives thereof, and methods of use thereof 拉堤果生物医疗股份有限公司 2025-04-25 CN disclosed
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 CN disclosed
CN-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 CN disclosed
EP-4511116-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
WO-2024054622-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2024-03-14 WO disclosed
EP-4304585-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2024-01-17 EP disclosed
CN-117062607-A Methyl substituted pyridine and pyridazine compounds, derivatives thereof and methods of use thereof 拉堤果生物医疗股份有限公司 2023-11-14 CN disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 WO disclosed