SCHEMBL438193

SCHEMBL438193

Cc1cc(N)c2ccc(Br)c(C)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 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPRS1 P07814 1/20 0.40
ALDH1A1 P00352 2/20 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
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
TERT O14746 2/20 0.35

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
SCHEMBL438259 0.81 NR4A2 (0.54) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL439579 0.79 NR4A2 (0.65) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL30018381 0.79 EPRS1 (0.43) KDM4EEPRS1ALDH1A1KMT2AGAA
SCHEMBL439824 0.79 NR4A2 (0.65) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL440069 0.78 NOS2 (0.41) EPRS1ALDH1A1
SCHEMBL437545 0.78 ADORA1 (0.55) NCF1KDM4EEPRS1ALDH1A1MEN1
SCHEMBL26535237 0.74 CCR1 (0.58) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL442131 0.73 NR4A2 (0.45) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL438758 0.73 EGFR (0.49) NR4A2NCF1KDM4ETDP1ALDH1A1
SCHEMBL438506 0.73 NR4A2 (0.44) NR4A2NCF1KDM4ETDP1EPRS1

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 1 patent. 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