SCHEMBL7861191

SCHEMBL7861191

O=C(CC(=O)C(F)(F)F)c1ccc(-c2ncc[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
PLOD2 O00469 3/20 0.55
PLOD3 O60568 2/20 0.55
PLOD1 Q02809 2/20 0.55
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
NISCH Q9Y2I1 2/20 0.44
FASN P49327 1/20 0.43
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
F10 P00742 2/20 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
SCHEMBL7024684 0.78 KDM4E (0.66) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL7020447 0.76 KDM4E (0.62) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL17303458 0.75 KDM4E (0.77) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL28604462 0.75 KDM4E (0.66) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL1060312 0.74 KDM4E (1.00) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL29140743 0.73 KDM4E (1.00) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL6666160 0.72 PLOD2 (0.66) KDM4EALDH1A1PLOD2PLOD3PLOD1
SCHEMBL7383120 0.72 KDM4E (0.72) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL5941063 0.72 KDM4E (0.72) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL3634334 0.72 KDM4E (0.72) KDM4EALDH1A1PDE4APDE4BPDE4C

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-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO disclosed