SCHEMBL7158014

SCHEMBL7158014

COC(=O)c1nc2ccc(OC)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
ALDH1A1 P00352 2/20 0.63
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
HTT P42858 1/20 0.62
DYRK1A Q13627 1/20 0.62
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
PDK1 Q15118 1/20 0.59
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
SCD O00767 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ATAD2 Q6PL18 1/20 0.58
CASP2 P42575 1/20 0.56

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
SCHEMBL8403873 0.86 HSD17B1 (0.67) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3634489 0.86 HSD17B1 (0.63) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3086399 0.85 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL16398809 0.85 ALDH1A1 (0.63) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21945012 0.85 ALDH1A1 (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2762136 0.84 MAPT (0.67) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21945149 0.84 ALDH1A1 (0.55) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL730623 0.83 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP3A4CYP2C19DYRK1A
SCHEMBL31410 0.82 HSD17B1 (0.73) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL20832544 0.82 ALDH1A1 (0.67) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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
CN-110292948-B Application of imines-functionalized imidazole chloride salt as catalyst in preparation of aromatic heterocyclic formate compounds 苏州大学 2022-02-25 CN disclosed
EP-1328514-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2003-07-23 EP disclosed
WO-2002034718-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2002-05-02 WO disclosed