SCHEMBL30278488

SCHEMBL30278488

COC(=O)c1cc2c(cc1F)NCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
PARP1 P09874 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
PYGL P06737 1/20 0.38
ATM Q13315 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AR P10275 2/20 0.36

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
SCHEMBL25072882 1.00 GAA (0.46) GAAPARP1MAPTKDM4EPPARG
Hydrochloric Acid SCHEMBL30955860 0.99 GAA (0.45) GAAPARP1MAPTKDM4EPPARG
SCHEMBL31208211 0.82 GAA (0.44) GAAPARP1MAPTKDM4EPPARG
SCHEMBL25156339 0.81 MAPT (0.47) GAAPARP1MAPTKDM4EPPARG
SCHEMBL31360510 0.81 MAPT (0.47) GAAPARP1MAPTKDM4EPPARG
Hydrochloric Acid SCHEMBL29221698 0.81 KDM4E (0.53) GAAPARP1MAPTKDM4EPPARG
Hydrochloric Acid SCHEMBL30955857 0.81 KDM4E (0.53) GAAPARP1MAPTKDM4EPPARG
SCHEMBL883735 0.80 RAB9A (0.42) GAAMAPTKDM4EATMLMNA
SCHEMBL23011990 0.75 MAP3K5 (0.45) MAPTLMNAALDH1A1HSD17B10TP53
SCHEMBL21155050 0.75 CRBN (0.38) PARP1MAPTKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 EP disclosed
CN-118103038-A 17 Beta-hydroxysteroid dehydrogenase 13 inhibitors and methods of use thereof 英安塔制药有限公司 2024-05-28 CN disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 WO disclosed