SCHEMBL9433376

SCHEMBL9433376

CC1=C(C(=O)O)C(c2ccc(C(F)(F)F)cc2)C(c2ccccn2)=C(C)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CASP1 P29466 2/20 0.42
FFAR3 O14843 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
F2 P00734 1/20 0.40
F12 P00748 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
CBFB Q13951 1/20 0.37
CACNA1B Q00975 2/20 0.37
TLR7 Q9NYK1 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR3 P29371 1/20 0.35
CASP7 P55210 1/20 0.35
DRD2 P14416 3/20 0.35

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
SCHEMBL9434076 0.88 CACNA1F (0.46) KDM4EHSD17B10CASP1FFAR3LMNA
SCHEMBL9434752 0.87 KDM4E (0.45) KDM4EHSD17B10CASP1FFAR3CACNA1B
SCHEMBL10432703 0.86 KDM4E (0.44) KDM4EHSD17B10CASP1LMNATSHR
SCHEMBL9433915 0.85 KDM4E (0.46) KDM4EHSD17B10CASP1FFAR3F2
SCHEMBL9434308 0.85 KDM4E (0.43) KDM4EHSD17B10CASP1CACNA1BMEN1
SCHEMBL9434410 0.85 CACNA1B (0.45) KDM4EHSD17B10CASP1CACNA1BMEN1
SCHEMBL9434033 0.83 KDM4E (0.42) KDM4EHSD17B10CASP1LMNACACNA1B
SCHEMBL9433811 0.83 KDM4E (0.47) KDM4EHSD17B10CASP1F2F12
SCHEMBL9434066 0.82 CYP1A2 (0.45) KDM4EHSD17B10TSHRMEN1KMT2A
SCHEMBL16178465 0.80 TSHR (0.44) KDM4EHSD17B10FFAR3LMNATSHR

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
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed