SCHEMBL8664667

SCHEMBL8664667

CN(C)c1cc([N+](=O)[O-])ccc1C[S+]([O-])C1=NC(=S)C(C)(C)N1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8669008 0.92 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL8667595 0.78
SCHEMBL8654571 0.77 ALOX5 (0.36) ALDH1A1MEN1MAPTKMT2A
SCHEMBL8670813 0.77 GAA (0.31) KMT2A
SCHEMBL8665899 0.73
SCHEMBL8653399 0.71 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL8668386 0.70
SCHEMBL8670979 0.70
SCHEMBL10701145 0.67 AMY1A (0.44) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL9676702 0.63 MAPT (0.42) ALDH1A1MEN1MAPTKMT2AL3MBTL1

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
US-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed