SCHEMBL441540

SCHEMBL441540

Cc1cc(N)c2ccc(F)c(F)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.51
NCF1 P14598 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GNG2 P59768 2/20 0.36
GNB1 P62873 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
KMT2A Q03164 1/20 0.36
TERT O14746 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
DOT1L Q8TEK3 2/20 0.34

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
SCHEMBL439735 0.79 NR4A2 (0.65) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL436015 0.76 NOS3 (0.39) HSD17B10
SCHEMBL436969 0.74 NR4A2 (0.46) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL3961491 0.74 CCR1 (0.41) NR4A2KDM4ETDP1ALDH1A1HSD17B10
SCHEMBL439728 0.74 NR4A2 (0.42) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL26535237 0.74 CCR1 (0.58) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL438259 0.74 NR4A2 (0.54) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL438193 0.71 NR4A2 (0.51) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL439579 0.71 NR4A2 (0.65) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL6588500 0.71 NR4A2 (0.45) NR4A2NCF1KDM4EALDH1A1CASP1

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