SCHEMBL6586705

SCHEMBL6586705

C=Cc1cccc2c(N)cc(C)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.59
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NCF1 P14598 1/20 0.49
GNG2 P59768 2/20 0.39
GNB1 P62873 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL438224 0.78 NR4A2 (0.69) NR4A2KDM4ETDP1NCF1KMT2A
SCHEMBL439735 0.75 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1KMT2A
SCHEMBL5243405 0.75 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1KMT2A
SCHEMBL438980 0.75 NR4A2 (1.00) NR4A2KDM4ETDP1NCF1ALDH1A1
SCHEMBL439824 0.75 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1ALDH1A1
SCHEMBL436718 0.72 NR4A2 (0.61) NR4A2KDM4ETDP1NCF1ALDH1A1
SCHEMBL437287 0.72 NR4A2 (0.61) NR4A2KDM4ETDP1NCF1ALDH1A1
SCHEMBL20680269 0.71 NR4A2 (0.59) NR4A2KDM4ETDP1NCF1KMT2A
SCHEMBL3627168 0.70 METAP2 (0.53) KDM4ETDP1KMT2AMEN1MAPT
SCHEMBL20680339 0.70 CD38 (0.59) NR4A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed