SCHEMBL27382017

SCHEMBL27382017

N=C1CSC(C=O)N1c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 5/20 0.48
LMNA P02545 6/20 0.42
MAPT P10636 7/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 3/20 0.39
VCAM1 P19320 1/20 0.39
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9480964 0.71 LMNA (0.47) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL9480969 0.71 LMNA (0.47) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL9481177 0.69 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPK1LMNAMAPT
Hydrochloric Acid SCHEMBL10804571 0.68 L3MBTL1 (0.55) L3MBTL1ALDH1A1MAPK1LMNAMAPT
Bromide SCHEMBL10804901 0.68 L3MBTL1 (0.55) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL9482008 0.67 ALDH1A1 (0.49) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL9482012 0.67 ALDH1A1 (0.49) L3MBTL1ALDH1A1MAPK1LMNAMAPT
Hydrochloric Acid SCHEMBL10805251 0.66 ALDH1A1 (0.48) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL23486528 0.66 ALDH1A1 (1.00) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL9480699 0.65 ALDH1A1 (0.50) L3MBTL1ALDH1A1MAPK1LMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1077194-A 2- (substituted imino) -thiazolidines and process for their preparation EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1993-10-13 CN disclosed