SCHEMBL9699493

SCHEMBL9699493

Cc1ncc(CS(=O)(=O)n2c(S)nc3ccccc32)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH3A1 P30838 5/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
NOD1 Q9Y239 3/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
CXCL8 P10145 2/20 0.36
NOD2 Q9HC29 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 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
SCHEMBL9700636 0.86 ALDH3A1 (0.43) SMN1; SMN2ALDH3A1ALDH1A1HTTTSHR
SCHEMBL8563059 0.76 HPGD (0.42) ALDH3A1ALDH1A1HTTTSHRTP53
SCHEMBL8034260 0.70 SMN1; SMN2 (0.49) SMN1; SMN2ALDH3A1ALDH1A1HTTTSHR
SCHEMBL14263834 0.68 TNF (0.57) SMN1; SMN2ALDH1A1HTTTSHRTP53
SCHEMBL990493 0.67 NOD1 (0.45) SMN1; SMN2ALDH3A1ALDH1A1HTTTSHR
SCHEMBL8042793 0.66 ALDH3A1 (0.74) SMN1; SMN2ALDH3A1ALDH1A1HTTTSHR
SCHEMBL4991751 0.66 LMNA (0.45) SMN1; SMN2ALDH3A1ALDH1A1HTTTSHR
SCHEMBL9320052 0.66 NOD1 (0.44) SMN1; SMN2ALDH3A1ALDH1A1HTTTSHR
SCHEMBL11327144 0.66 NOD1 (0.44) SMN1; SMN2ALDH3A1ALDH1A1HTTTSHR
SCHEMBL14356320 0.65 NOD1 (0.67) ALDH3A1ALDH1A1HTTTSHRNOD1

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
WO-1992001687-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 WO disclosed