SCHEMBL30002828

SCHEMBL30002828

COc1ccc(C(=O)O)nc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ECE1 P42892 7/20 0.47
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
GPR35 Q9HC97 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
TPMT P51580 1/20 0.40

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
SCHEMBL27088325 1.00 KDM4E (0.60) KDM4EL3MBTL1ECE1MAPK1TSHR
SCHEMBL27088319 0.85 MAPT (0.45) KDM4EL3MBTL1MAPK1TSHRMAPT
SCHEMBL1105941 0.77 KDM4E (0.43) KDM4EL3MBTL1TSHRMAPTALOX15
SCHEMBL7225742 0.75 KDM4E (1.00) KDM4EL3MBTL1ECE1MAPK1TSHR
SCHEMBL7234015 0.75 KDM4E (0.68) KDM4EL3MBTL1ECE1MAPK1TSHR
SCHEMBL22234858 0.75 KDM4E (0.43) KDM4EL3MBTL1TSHRMAPTALOX15
SCHEMBL13363185 0.75 KDM4E (0.68) KDM4EL3MBTL1ECE1MAPK1TSHR
SCHEMBL27087492 0.75 KDM4E (0.44) KDM4EL3MBTL1TSHRMAPTALOX15
SCHEMBL24554614 0.75 HPGD (0.41) KDM4EL3MBTL1MAPK1TSHRMAPT
SCHEMBL29682888 0.75 HPGD (0.41) KDM4EL3MBTL1MAPK1TSHRMAPT

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-4320111-A1 HYDROXYPYRIDINE HSD17B13 INHIBITORS AND USES THEREOF Inipharm, Inc. (US) 2024-02-14 EP disclosed
WO-2022216626-A1 HYDROXYPYRIDINE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2022-10-13 WO disclosed