SCHEMBL5288809

SCHEMBL5288809

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)C3CC4C=CC3C4)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
NR1I2 O75469 3/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 1/20 0.34
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ITGB3 P05106 1/20 0.33

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
SCHEMBL5301651 0.93 THRB (0.39) RAB9ANPC1SMN1; SMN2LMNATHRB
SCHEMBL2296252 0.79 NR1I2 (0.47) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2296670 0.79 NR1I2 (0.47) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2295674 0.78 NPC1 (0.56) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2296379 0.78 NPC1 (0.46) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL5299923 0.78 NR1I2 (0.44) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2294620 0.78 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2300786 0.77 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL5295212 0.77 POLB (0.43) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL5284187 0.77 GHSR (0.47) RAB9ANPC1SMN1; SMN2LMNAKMT2A

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