SCHEMBL30790789

SCHEMBL30790789

COCOc1ccc2ncc(F)cc2c1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.42
▸ DHODH Q02127 3/20 0.42
▸ NMT1 P30419 4/20 0.40
▸ NMT2 O60551 1/20 0.39
▸ PRKCZ Q05513 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CASP3 P42574 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SENP8 Q96LD8 2/20 0.38
▸ SENP7 Q9BQF6 2/20 0.38
▸ SENP6 Q9GZR1 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL27032736 0.83 L3MBTL1 (0.48) PRKCZKDM4EMAPTCASP3RAB9A
Hydrochloric Acid SCHEMBL29097073 0.81 SCN4A (0.39) PLA2G2ADHODHNMT1PRKCZKDM4E
Hydrochloric Acid SCHEMBL29828403 0.81 SCN4A (0.39) PLA2G2ADHODHNMT1PRKCZKDM4E
Hydrochloric Acid SCHEMBL29096946 0.81 SCN4A (0.39) PLA2G2ADHODHNMT1PRKCZKDM4E
Hydrochloric Acid SCHEMBL30916048 0.81 DHODH (0.37) PLA2G2ADHODHNMT1NMT2PRKCZ
Hydrochloric Acid SCHEMBL29828357 0.81 SCN4A (0.39) PLA2G2ADHODHNMT1PRKCZKDM4E
Hydrochloric Acid SCHEMBL29096949 0.81 SCN4A (0.39) PLA2G2ADHODHNMT1PRKCZKDM4E
Hydrochloric Acid SCHEMBL30916075 0.79 MAPT (0.42) DHODHPRKCZTP53THRBKDM4E
SCHEMBL30790785 0.77 ATM (0.43) MAPTMAPK1
SCHEMBL30916027 0.77 SYK (0.41) MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4587012-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
EP-4587444-A1 CRYSTALLINE FORM OF (3S,7S,10R,13R)-13-BENZYL-20-FLUORO-7-ISOBUTYL-N-(2-(3-METHOXY-1,2,4-OXADIAZOL-5-YL)ETHYL)-6,9-DIMETHYL-1,5,8,11-TETRAOXO-10-(2,2,2-TRIFLUOROETHYL)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-TETRADECAHYDRO-[1]OXA[4,7,10,14]TETRAAZACYCLOHEPTADECINO[16,17-F]QUINOLINE-3-CARBOXAMIDE Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
EP-4587443-A1 MACROCYCLIC CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
WO-2024056779-A1 CRYSTALLINE FORM OF (3S,7S,10R,13R)-13-BENZYL-20-FLUORO-7-ISOBUTYL-N-(2-(3-METHOXY-1,2,4-OXADIAZOL-5-YL)ETHYL)-6,9-DIMETHYL-1,5,8,11-TETRAOXO-10-(2,2,2-TRIFLUOROETHYL)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-TETRADECAHYDRO-[1]OXA[4,7,10,14]TETRAAZACYCLOHEPTADECINO[16,17-F]QUINOLINE-3-CARBOXAMIDE IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
WO-2024056798-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
WO-2024056791-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
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