SCHEMBL4625124

SCHEMBL4625124

Nc1[nH]nc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL17730533 0.79 TSHR (0.40) HSD17B10KDM4EALDH1A1
SCHEMBL4879037 0.78 L3MBTL1 (0.33) KDM4E
SCHEMBL14822491 0.77 KDM4E (0.45) KDM4E
SCHEMBL1864417 0.74 HCAR2 (0.35) KDM4E
SCHEMBL4650593 0.74
SCHEMBL29129807 0.74 GLRA3 (0.32) KDM4E
SCHEMBL28359144 0.73 HCAR2 (0.35) KDM4E
SCHEMBL9211802 0.73 HCAR2 (0.34) KDM4E
SCHEMBL3451427 0.73 HCAR2 (0.49) KDM4E
SCHEMBL2466657 0.73 CCNE2 (0.40) HTTKDM4EALDH1A1

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-1067121-B1 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same MITSUI CHEMICALS INC (JP) 2008-05-28 EP disclosed
US-6235911-B1 5-aminopyrazole-4-carboxylate derivative and process for preparing the same MITSUI CHEMICALS, INC. (JP) 2001-05-22 US disclosed
EP-1067121-A2 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same Mitsui Chemicals, Inc. (JP) 2001-01-10 EP disclosed