SCHEMBL5300929

SCHEMBL5300929

COc1ccc(OC)c(CC(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
NR1I2 O75469 2/20 0.43
BRD4 O60885 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 2/20 0.42
GLS O94925 1/20 0.42
ADRA2B P18089 4/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5294631 0.93 MEN1 (0.51) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL2295562 0.91 LMNA (0.48) KMT2AMEN1SMN1; SMN2HPGDNPC1
SCHEMBL2297605 0.88 SMN1; SMN2 (0.52) KMT2AMEN1SMN1; SMN2HPGDNPC1
SCHEMBL2291248 0.86 USP2 (0.51) KMT2AMEN1SMN1; SMN2HPGDNPC1
SCHEMBL5303427 0.85 BCHE (0.51) KMT2AMEN1SMN1; SMN2HPGDNPC1
SCHEMBL2295247 0.84 LMNA (0.50) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL5300999 0.84 SMN1; SMN2 (0.50) KMT2AMEN1SMN1; SMN2HPGDNPC1
SCHEMBL2295280 0.83 KMT2A (0.50) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL5307759 0.83 KDR (0.44) KMT2AMEN1SMN1; SMN2HPGDNPC1
SCHEMBL2299767 0.83 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2HPGDNPC1

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