SCHEMBL5301613

SCHEMBL5301613

COc1ccc(Br)c(OC)c1C(=O)Nc1ccc2c(c1)ncn2C(CC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 3/20 0.44
ADRA2B P18089 4/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
IDE P14735 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM4 Q14833 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
SCHEMBL2297594 0.93 PRNP (0.41) PRNPL3MBTL1SMN1; SMN2TP53MAPT
SCHEMBL2297333 0.89 ADRA2B (0.49) PRNPL3MBTL1SMN1; SMN2TP53MAPT
SCHEMBL2292853 0.87 ALDH1A1 (0.47) PRNPL3MBTL1SMN1; SMN2TP53MAPT
SCHEMBL2358248 0.83 SMN1; SMN2 (0.45) L3MBTL1SMN1; SMN2MAPTADRA2BNPC1
SCHEMBL5294462 0.82 NPC1 (0.43) PRNPL3MBTL1SMN1; SMN2TP53MAPT
SCHEMBL2294395 0.82 MAPT (0.46) SMN1; SMN2MAPTADRA2BRAB9ALMNA
SCHEMBL5287546 0.81 ADRA2B (0.47) PRNPL3MBTL1SMN1; SMN2TP53MAPT
SCHEMBL5280673 0.81 ADRA2B (0.52) PRNPL3MBTL1SMN1; SMN2TP53MAPT
SCHEMBL12421961 0.81 ADRA2B (0.50) PRNPL3MBTL1SMN1; SMN2TP53MAPT
SCHEMBL2296307 0.81 NPC1 (0.46) SMN1; SMN2TP53MAPTNPC1RAB9A

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