SCHEMBL439728

SCHEMBL439728

Cc1cc(N)c2c(F)ccc(F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NCF1 P14598 1/20 0.39
MAPT P10636 3/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
RAB9A P51151 2/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
PSMD14 O00487 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6586731 0.77 MAPT (0.46) NR4A2MAPTLMNA
SCHEMBL6590908 0.77 METAP2 (0.36) KDM4EMAPTRAB9ACCR1CCR5
SCHEMBL439735 0.74 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL6588500 0.74 NR4A2 (0.45) NR4A2KDM4ENCF1ALDH1A1CASP1
SCHEMBL29941057 0.74 NCF1 (0.53) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL441540 0.74 NR4A2 (0.51) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL442246 0.72 KDM4E (0.47) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL3961491 0.69 CCR1 (0.41) NR4A2KDM4ETDP1MAPTNOS3
SCHEMBL436969 0.69 NR4A2 (0.46) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL439448 0.69 NR4A2 (0.59) NR4A2KDM4ETDP1NCF1MAPT

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 5 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
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