SCHEMBL30481253

SCHEMBL30481253

COc1ccc2c(CO)nn(-c3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ NPBWR1 P48145 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ AKR1C3 P42330 2/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ PTPN7 P35236 1/20 0.39
▸ DUSP3 P51452 1/20 0.39

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
SCHEMBL30481249 1.00 SCN9A (0.43) SCN9ACYP19A1PTGS1PTGS2NPBWR1
SCHEMBL25240651 1.00 SCN9A (0.43) SCN9ACYP19A1PTGS1PTGS2NPBWR1
SCHEMBL4794897 0.90 SCN9A (0.48) SCN9ACYP19A1PTGS1PTGS2NPBWR1
SCHEMBL4795769 0.82 EGLN2 (0.41) SCN9APTGS1PTGS2PTGER4
SCHEMBL30481224 0.81 SSTR5 (0.43) CYP19A1NPBWR1SSTR5ABCG2
SCHEMBL30481223 0.81 SSTR5 (0.43) CYP19A1NPBWR1SSTR5ABCG2
SCHEMBL25285426 0.81 SSTR5 (0.43) CYP19A1NPBWR1SSTR5ABCG2
SCHEMBL25237937 0.80 SCN9A (0.43) SCN9ACYP19A1PTGS1PTGS2NPBWR1
SCHEMBL4791493 0.80 SCN9A (0.47) SCN9AAKR1C3AKR1C2
SCHEMBL30481231 0.80 SCN9A (0.43) SCN9ACYP19A1PTGS1PTGS2NPBWR1

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
EP-4452936-A2 INDOLES, INDAZOLES, AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD The Katholieke Universiteit Leuven (BE) 2024-10-30 — — EP disclosed
WO-2023122782-A2 INDOLES, INDAZOLES, AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 — — WO disclosed
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