SCHEMBL3246493

SCHEMBL3246493

O=C(CN1C(=O)CCc2cc(-c3cc(Cl)cc(Cl)c3)cnc21)N1Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
MAPK1 P28482 7/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
CYP11B2 P19099 1/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN1 Q05586 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL3267887 0.94 MAPK1 (0.45) MAPK1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL3130951 0.85 ESR1 (0.43) MAPK1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL3246489 0.85 CYP11B2 (0.36) FNTAFNTBKDM4ELMNASMN1; SMN2
SCHEMBL13521719 0.84 TSHR (0.46) MAPK1LMNAHTTGAATSHR
SCHEMBL3118590 0.83 ESR2 (0.45) MAPK1KDM4EHTTTSHRCYP11B2
SCHEMBL3241068 0.82 CYP11B2 (0.41) CYP11B2
SCHEMBL3127545 0.81 MAPK1 (0.41) MAPK1KDM4EHTTTSHRCYP11B2
SCHEMBL3247392 0.81 HSD17B3 (0.43) CYP11B2GRIN2BGRIN1
SCHEMBL3236789 0.80 GAA (0.55) MAPK1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL3122131 0.78 MAPK1 (0.43) MAPK1TSHRMEN1KMT2AALDH1A1

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
WO-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO claimed