SCHEMBL5282895

SCHEMBL5282895

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)CCN3C(=O)c4ccccc4C3=O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 6/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 3/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL5302367 0.93 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4ENPSR1KMT2A
SCHEMBL5287647 0.91 KMT2A (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5301204 0.83 KMT2A (0.49) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5295936 0.83 MAPT (0.41) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL2291392 0.82 KMT2A (0.51) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL2295674 0.81 NPC1 (0.56) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL5294218 0.81 RAB9A (0.45) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL2296670 0.80 NR1I2 (0.47) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL2296252 0.80 NR1I2 (0.47) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5281598 0.80 GAA (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed