SCHEMBL27470745

SCHEMBL27470745

O=C(O)c1scc(CN2CCOCC2)c1Cl.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.52
F2 P00734 3/20 0.52
CYP2A13 Q16696 4/20 0.46
CYP2C9 P11712 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSB P07858 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
SCHEMBL6600222 0.99 F10 (0.53) F10F2CYP2A13CYP2C9ALOX15
SCHEMBL6590805 0.86 F10 (0.52) F10F2CYP2A13KDM4EPOLB
SCHEMBL6594051 0.84 F10 (0.51) F10F2CYP2A13CYP2C9ALOX15
SCHEMBL6601695 0.83 F10 (0.53) F10F2KDM4EPOLB
SCHEMBL6590035 0.82 HCRTR1 (0.54) F10F2CYP2A13KDM4EMAPT
Hydrochloric Acid SCHEMBL6590659 0.82 F10 (0.53) F10F2KDM4EPOLB
SCHEMBL3829272 0.77 CYP2C9 (0.50) CYP2A13CYP2C9ALOX15HSD17B10HTT
SCHEMBL4078686 0.71 GPR35 (0.42) KDM4EPOLBGAA
SCHEMBL6596838 0.71 GPR35 (0.42) KDM4EMAPTPOLBGAA
SCHEMBL6590808 0.70 F10 (0.51) F10F2CYP2A13KDM4EPOLB

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
CN-1143855-C I (ortho)-anthranilamide derivatives as anti-coagulants ���ֹɷݹ�˾ 2004-03-31 CN disclosed
CN-1282329-A I (ortho)-anthranilamide derivatives as anti-coagulants SCHERING AG (DE) 2001-01-31 CN disclosed