SCHEMBL4067951

SCHEMBL4067951

Nc1cccc(CCOC2CCCCO2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DHFR P00374 1/20 0.39
BACE1 P56817 4/20 0.38
KCNA5 P22460 1/20 0.37
SCN5A Q14524 1/20 0.37
MCHR1 Q99705 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
APP P05067 1/20 0.33
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33

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
SCHEMBL8235051 0.84 KDM4C (0.59) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL4073230 0.84 KDM4C (0.59) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL17768141 0.82 KDM4C (0.48) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL17768193 0.81 KDM4C (0.49) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL23355719 0.80 KDM4C (0.55) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL4074986 0.80 KDM4C (0.55) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL5342790 0.80 KDM4C (0.44) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL28935874 0.78 KDM4C (0.65) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL25282359 0.78 NPC1 (0.50) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL3512933 0.77 KDM4C (0.64) KDM4CL3MBTL1NPC1RAB9AMEN1

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-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed