SCHEMBL9044324

SCHEMBL9044324

CSC(=C[N+](=O)[O-])NCc1ccc(Oc2ccc(Cl)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
ALDH1A1 P00352 6/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
P2RX3 P56373 5/20 0.37
LIPE Q05469 2/20 0.36
MAPK1 P28482 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
DAGLA Q9Y4D2 1/20 0.35

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
SCHEMBL9046783 0.84 OPRM1 (0.40) MAPTALDH1A1LMNAL3MBTL1GAA
SCHEMBL7665405 0.82 ALDH1A1 (0.65) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL7665411 0.82 ALDH1A1 (0.65) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL7667283 0.81 ALDH1A1 (0.48) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL7667286 0.81 ALDH1A1 (0.48) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL10440330 0.78 OPRM1 (0.44) L3MBTL1GAAEGLN1P2RX3DAGLA
SCHEMBL10440329 0.77 EGLN1 (0.41) L3MBTL1GAAEGLN1P2RX3ATG4B
SCHEMBL9046373 0.77 ALDH1A1 (0.44) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL9044323 0.74 LIPE (0.48) MAPTALDH1A1HTTL3MBTL1LIPE
SCHEMBL9044014 0.73 GAA (0.39) L3MBTL1GAAEGLN1P2RX3LIPE

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-0366085-B1 Tetrahydropyrimidines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-17 EP disclosed
US-5084459-A Insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-28 US disclosed