SCHEMBL5283577

SCHEMBL5283577

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)Nc3cc(Cl)nc(Cl)c3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 4/20 0.49
RAB9A P51151 10/20 0.42
NPC1 O15118 9/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
S1PR2 O95136 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
IGF1R P08069 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GFER P55789 1/20 0.37
RECQL P46063 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL2296670 0.90 NR1I2 (0.47) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2296252 0.90 NR1I2 (0.47) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5299923 0.86 NR1I2 (0.44) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5298326 0.85 RAB9A (0.47) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5301051 0.83 AURKA (0.47) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5300999 0.83 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL5301184 0.83 RAB9A (0.44) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5294171 0.83 RAB9A (0.46) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5295207 0.83 FNTA (0.45) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2296379 0.83 NPC1 (0.46) NR1I2RAB9ANPC1SMN1; SMN2LMNA

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