SCHEMBL8808229

SCHEMBL8808229

COC(=O)c1n[c]sc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 6/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
PKM P14618 2/20 0.36
KDM4C Q9H3R0 1/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
RCE1 Q9Y256 1/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL971718 0.74 NPSR1 (0.42) NPSR1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL8806290 0.74 L3MBTL1 (0.47) NPSR1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL3097821 0.74
SCHEMBL2441537 0.67 NPSR1 (0.47) NPSR1KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL23538248 0.67 NPSR1 (0.46) NPSR1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL952325 0.67 ALDH1A1 (0.56) NPSR1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL2447674 0.67 MAPT (0.41) NPSR1MAPTALDH1A1SMN1; SMN2PKM
SCHEMBL9860580 0.67 NPSR1 (0.52) NPSR1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL9091123 0.66 NPSR1 (0.71) NPSR1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL2439659 0.66 NPSR1 (0.45) NPSR1KDM4EALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476456-B1 Substituted 2-thiazolyl tetrazolium salt indicators BAYER AG (US) 1997-11-12 EP disclosed
EP-0476454-B1 Analytical method using tetrazolium salt indicators having a reflectance plateau BAYER AG (US) 1996-10-23 EP disclosed
US-5126275-A Chromogenic reducing indicators for reducing substances such as NADH MILES INC. (US) 1992-06-30 US disclosed