SCHEMBL6593976

SCHEMBL6593976

Cc1cc(C)c(/C=C/c2cc(C(F)(F)F)nc(=O)[nH]2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.35
NOD1 Q9Y239 3/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TYMS P04818 2/20 0.32
FABP4 P15090 1/20 0.32
HPGD P15428 3/20 0.32
KDM5B Q9UGL1 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
HSPA1A P0DMV8 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL6593981 1.00 TNF (0.35) TNFNOD1RAB9AMEN1KMT2A
SCHEMBL6597409 0.77 PDE3B (0.44) MEN1KMT2AFABP4HPGDALDH1A1
SCHEMBL6597415 0.77 PDE3B (0.44) MEN1KMT2AFABP4HPGDALDH1A1
SCHEMBL6594327 0.77 TNF (0.61) TNFNOD1RAB9AMEN1KMT2A
SCHEMBL6661728 0.71 TNF (0.39) TNFNOD1MEN1KMT2AHPGD
SCHEMBL6664825 0.71 TNF (0.39) TNFNOD1MEN1KMT2AHPGD
SCHEMBL6589681 0.71 KDM4E (0.63) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL6589679 0.71 KDM4E (0.63) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL15347362 0.70 ALDH1A1 (0.47) TNFNOD1RAB9AMEN1KMT2A
SCHEMBL15347361 0.70 ALDH1A1 (0.47) TNFNOD1RAB9AMEN1KMT2A

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-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP claimed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP disclosed