SCHEMBL5280673

SCHEMBL5280673

COc1cc(CCC(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 3/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 4/20 0.49
LMNA P02545 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
PRNP P04156 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDR P35968 1/20 0.42

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
SCHEMBL5307759 0.83 KDR (0.44) ADRA2BKMT2AMEN1MAPTLMNA
SCHEMBL2295562 0.83 LMNA (0.48) ADRA2BKMT2AMEN1MAPTLMNA
SCHEMBL5303427 0.82 BCHE (0.51) ADRA2BKMT2AMEN1MAPTLMNA
SCHEMBL2297605 0.81 SMN1; SMN2 (0.52) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL5301613 0.81 PRNP (0.47) ADRA2BMAPTLMNASMN1; SMN2PRNP
SCHEMBL2297333 0.81 ADRA2B (0.49) ADRA2BMAPTLMNASMN1; SMN2PRNP
SCHEMBL2291392 0.80 KMT2A (0.51) KMT2AMEN1LMNASMN1; SMN2L3MBTL1
SCHEMBL5300929 0.80 KMT2A (0.51) ADRA2BKMT2AMEN1MAPTLMNA
SCHEMBL2291248 0.80 USP2 (0.51) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL5300999 0.79 SMN1; SMN2 (0.50) KMT2AMEN1MAPTLMNASMN1; SMN2

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