SCHEMBL9480964

SCHEMBL9480964

CC[C@@H]1CSC(=N)N1c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 3/20 0.47
MAPK1 P28482 5/20 0.46
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
KDM4E B2RXH2 1/20 0.42
MAPT P10636 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 1/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNMA1 Q12791 1/20 0.37
NOS3 P29474 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
SCHEMBL9480969 1.00 LMNA (0.47) LMNASMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL9481824 0.73 LMNA (0.37) LMNASMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL9481826 0.73 LMNA (0.37) LMNASMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL27382017 0.71 L3MBTL1 (0.48) LMNASMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL9481177 0.70 L3MBTL1 (0.56) LMNASMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL9482008 0.70 ALDH1A1 (0.49) LMNASMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL9482012 0.70 ALDH1A1 (0.49) LMNASMN1; SMN2POLBMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL10804571 0.69 L3MBTL1 (0.55) LMNASMN1; SMN2POLBMAPK1ALDH1A1
Bromide SCHEMBL10804901 0.69 L3MBTL1 (0.55) LMNASMN1; SMN2POLBMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL10805251 0.69 ALDH1A1 (0.48) LMNASMN1; SMN2POLBMAPK1ALDH1A1

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
US-5240918-A Analgesics EGIS GYOGYSZERGYAR (HU) 1993-08-31 US disclosed