SCHEMBL10143436

SCHEMBL10143436

COc1ccc(Nc2nc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 5/20 0.64
▸ GALR1 P47211 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPT P10636 3/20 0.52
▸ CCND3 P30281 2/20 0.47
▸ CCNK O75909 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CDK6 Q00534 1/20 0.47
▸ SLC2A1 P11166 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CCND2 P30279 1/20 0.46
▸ JAK2 O60674 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ SUV39H2 Q9H5I1 1/20 0.45
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL10143767 0.83 MAPT (0.67) GALR2GALR1ALDH1A1MAPTCCND3
SCHEMBL10143471 0.81 GALR2 (0.70) GALR2GALR1ALDH1A1MAPTCCND3
SCHEMBL17310093 0.81 SUV39H2 (0.49) GALR2GALR1ALDH1A1MAPTSLC2A1
SCHEMBL10143551 0.80 GALR2 (0.67) GALR2GALR1ALDH1A1MAPTSLC2A1
SCHEMBL10143394 0.80 GALR2 (0.67) GALR2GALR1ALDH1A1MAPTSLC2A1
SCHEMBL18153409 0.80 GALR2 (0.54) GALR2GALR1MAPTCCND3CCNK
SCHEMBL10144326 0.79 GALR2 (1.00) GALR2GALR1
SCHEMBL10143476 0.79 GALR2 (0.71) GALR2GALR1ALDH1A1MAPTCCND3
SCHEMBL21796892 0.79 SUV39H2 (0.49) GALR2GALR1ALDH1A1MAPTLMNA
SCHEMBL10143742 0.78 JAK2 (0.53) GALR2GALR1MAPTSLC2A1SMN1; SMN2

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
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