SCHEMBL10143663

SCHEMBL10143663

COc1ccc(Nc2nc(Nc3cc(C)ccc3C)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 3/20 0.51
GALR1 P47211 1/20 0.51
MAPT P10636 5/20 0.48
ALDH1A1 P00352 2/20 0.48
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
MAPK1 P28482 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GBA1 P04062 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL10143471 0.87 GALR2 (0.70) GALR2GALR1MAPTALDH1A1CCND3
SCHEMBL10143476 0.84 GALR2 (0.71) GALR2GALR1MAPTALDH1A1CCND3
SCHEMBL10143494 0.83 MAPT (0.61) GALR2MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL10143767 0.82 MAPT (0.67) GALR2GALR1MAPTALDH1A1CCND3
SCHEMBL10143745 0.82 GALR2 (0.73) GALR2GALR1MAPTMAPK1TDP1
SCHEMBL10143493 0.81 GALR1 (0.74) GALR2GALR1MAPTALDH1A1MAPK1
SCHEMBL10143595 0.81 GALR2 (0.58) GALR2GALR1MAPTMAPK1TDP1
SCHEMBL10143641 0.81 MAPT (0.59) GALR2GALR1MAPTMAPK1TDP1
SCHEMBL10143492 0.80 GALR2 (0.59) GALR2MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL10143650 0.80 CTSL (0.61) GALR2MAPTALDH1A1MAPK1TDP1

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