SCHEMBL9044323

SCHEMBL9044323

CS/C(=C\[N+](=O)[O-])N(C)c1ccc(Oc2ccc(Cl)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.48
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
HSPB1 P04792 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 1/20 0.34
CSF1R P07333 1/20 0.34
KMT2A Q03164 1/20 0.34
DAGLA Q9Y4D2 1/20 0.33
PGR P06401 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9046781 0.84 LIPE (0.45) LIPEMAPTALDH1A1HTTHSPB1
SCHEMBL27315098 0.84 LIPE (0.45) LIPEMAPTALDH1A1HTTHSPB1
SCHEMBL7753213 0.80 MAPT (0.39) MAPTALDH1A1HTTKMT2AL3MBTL1
SCHEMBL10440281 0.80 MAPT (0.39) MAPTALDH1A1HTTKMT2AL3MBTL1
SCHEMBL27316025 0.77 LIPE (0.41) LIPEMAPTHSPB1HRH3RAB9A
SCHEMBL9046364 0.75 ALDH1A1 (0.36) MAPTALDH1A1HTTKMT2A
SCHEMBL27316024 0.74 LIPE (0.45) LIPEMAPTALDH1A1HTTHSPB1
SCHEMBL9044324 0.74 MAPT (0.48) LIPEMAPTALDH1A1HTTDAGLA
SCHEMBL9046783 0.68 OPRM1 (0.40) MAPTALDH1A1HSPB1KMT2ADAGLA
SCHEMBL11274403 0.68 HSPB1 (0.73) MAPTALDH1A1HTTHSPB1NPSR1

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