SCHEMBL439508

SCHEMBL439508

Cc1cc(N)c2cc(Cl)c(Cl)cc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.62
NCF1 P14598 1/20 0.53
ALDH1A1 P00352 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.46
GNG2 P59768 2/20 0.45
GNB1 P62873 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
ALOX15 P16050 1/20 0.45
BLM P54132 1/20 0.45
TERT O14746 4/20 0.44
POLB P06746 2/20 0.43
DOT1L Q8TEK3 2/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL438119 0.77 NR4A2 (1.00) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL440491 0.77 NR4A2 (0.74) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL14498166 0.73 SLC2A1 (0.55) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL438576 0.73 MCHR1 (0.49)
SCHEMBL3235863 0.72 NCF1 (0.63) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL438604 0.72 NCF1 (0.63) NR4A2NCF1ALDH1A1CASP1CASP7
Hydrochloric Acid SCHEMBL30579056 0.71 NCF1 (0.61) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL1120035 0.69 NCF1 (1.00) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL29557788 0.69 NCF1 (1.00) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL440270 0.69 NR4A2 (0.62) NR4A2NCF1ALDH1A1CASP1CASP7

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