SCHEMBL5281598

SCHEMBL5281598

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
CYP3A4 P08684 1/20 0.45
F10 P00742 3/20 0.45
F2 P00734 2/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
PRSS1 P07477 1/20 0.41
MAPT P10636 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
POLB P06746 2/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL5303016 0.93 GAA (0.46) GAAKMT2AMEN1CYP3A4F10
SCHEMBL2296016 0.88 NPC1 (0.50) KMT2AMEN1F10F2RAB9A
SCHEMBL2297135 0.86 KMT2A (0.46) KMT2AMEN1F10F2RAB9A
SCHEMBL2291392 0.82 KMT2A (0.51) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL2295674 0.81 NPC1 (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL2296252 0.80 NR1I2 (0.47) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL2296670 0.80 NR1I2 (0.47) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL2299394 0.80 F2 (0.44) KMT2AMEN1F10F2RAB9A
SCHEMBL2294143 0.80 NPC1 (0.53) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL5282895 0.80 ALDH1A1 (0.47) GAAKMT2AMEN1RAB9ANPC1

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