SCHEMBL7501749

SCHEMBL7501749

CCOC(=O)COc1nc(-c2ccccc2)nc(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.53
KDM4E B2RXH2 6/20 0.51
TSHR P16473 4/20 0.51
TP53 P04637 3/20 0.51
LMNA P02545 3/20 0.51
HSD17B10 Q99714 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 4/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
POLB P06746 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
PRNP P04156 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7506345 0.86 GAA (0.57) KDM4ETSHRTP53LMNAHSD17B10
SCHEMBL7669358 0.83 PRNP (0.61) SQORKDM4ETSHRLMNAALDH1A1
SCHEMBL7497628 0.83 GAA (0.45) KDM4ETSHRTP53LMNAHSD17B10
SCHEMBL7496409 0.80 KDM4E (0.44) KDM4ETSHRTP53LMNAHSD17B10
SCHEMBL7502299 0.80 KDM4E (0.62) KDM4ETSHRTP53LMNAHSD17B10
SCHEMBL7497826 0.77 CYP1A2 (0.44) KDM4ETP53HSD17B10RAB9AALDH1A1
SCHEMBL7508554 0.76 GAA (0.41) KDM4ETSHRTP53LMNAHSD17B10
SCHEMBL7499764 0.75 GAA (0.41) KDM4ETSHRTP53LMNAHSD17B10
SCHEMBL7500723 0.75 MEN1 (0.47) KDM4ETP53HSD17B10RAB9AALDH1A1
SCHEMBL7507296 0.74 LMNA (0.50) KDM4ETSHRTP53LMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed