SCHEMBL437139

SCHEMBL437139

Cc1cc(N)c2c(F)cc(F)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.42
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
NR4A2 P43354 1/20 0.39
GNG2 P59768 2/20 0.36
GNB1 P62873 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR5A P47898 1/20 0.34
TYMS P04818 1/20 0.33

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
SCHEMBL29941057 0.76 NCF1 (0.53) NCF1BCHEACHENR4A2KMT2A
SCHEMBL21325823 0.74 BCHE (0.40) BCHEACHEADORA2AADORA1ALDH1A1
SCHEMBL6588500 0.73 NR4A2 (0.45) NCF1NR4A2GNG2GNB1KMT2A
SCHEMBL436969 0.72 NR4A2 (0.46) NCF1NR4A2GNG2GNB1KMT2A
SCHEMBL442339 0.70 NR4A2 (0.64) NCF1BCHEACHENR4A2GNG2
SCHEMBL30682591 0.70 NR4A2 (0.64) NCF1BCHEACHENR4A2GNG2
SCHEMBL439466 0.69 NCF1 (0.44) NCF1BCHEACHENR4A2GNG2
SCHEMBL21179488 0.69 BCHE (0.36) BCHEACHEKMT2AGAA
SCHEMBL30823293 0.69 BCHE (0.36) BCHEACHEKMT2AGAA
SCHEMBL30682648 0.69 NR4A2 (0.41) NCF1NR4A2GNG2GNB1KMT2A

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed