SCHEMBL9640438

SCHEMBL9640438

CCOC(=O)CNC(=O)CNc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
LMNA P02545 2/20 0.47
PPID Q08752 1/20 0.47
NPC1 O15118 2/20 0.46
NOS2 P35228 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 6/20 0.45
ATM Q13315 2/20 0.45
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7358505 0.90 LMNA (0.52) LMNAPPIDNPC1NOS2RAB9A
SCHEMBL25083223 0.83 GAA (0.53) LMNANPC1RAB9AKDM4EGAA
SCHEMBL1120663 0.79 LMNA (0.54) LMNAPPIDNPC1NOS2RAB9A
SCHEMBL1602631 0.79 TOP2A (0.56) LMNANPC1NOS2RAB9AKDM4E
Hydrochloric Acid SCHEMBL15562708 0.78 TOP2A (0.54) LMNANPC1NOS2RAB9AKDM4E
SCHEMBL7748124 0.77 GAA (0.50) NPC1RAB9AGAAALDH1A1HTT
SCHEMBL9045499 0.77 GAA (0.68) LMNANPC1NOS2RAB9AKDM4E
SCHEMBL11954569 0.77 TOP2A (0.57) LMNANPC1NOS2RAB9AALDH1A1
SCHEMBL7436411 0.76 GAA (0.51) ALOX15LMNANPC1RAB9AKDM4E
SCHEMBL22338218 0.76 GAA (0.56) NPC1RAB9AGAAALDH1A1HPGD

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-0240914-B1 PEPTIDE DERIVATIVES AND ACTIVITY MEASURING METHOD OF PHYSIOLOGICALLY ACTIVE SUBSTANCES USING THE SAME AS SUBSTRATES WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP claimed
US-5120644-A Reacting enzyme with substrate containing fluorescent substituent WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-09 US claimed