SCHEMBL8561122

SCHEMBL8561122

COc1ccc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.43
SLC40A1 Q9NP59 1/20 0.43
TSHR P16473 3/20 0.42
GLO1 Q04760 1/20 0.41
TP53 P04637 1/20 0.41
SCN9A Q15858 1/20 0.41
PTGS2 P35354 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
ACLY P53396 1/20 0.40
POLB P06746 2/20 0.40
PI4KB Q9UBF8 1/20 0.40
PTGS1 P23219 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9025116 0.95 MAPT (0.42) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL8559468 0.92 ALDH1A1 (0.44) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL8559957 0.91 MAPT (0.47) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL9025121 0.89 ALDH1A1 (0.40) MAPTALDH1A1LMNASLC40A1SCN9A
SCHEMBL8561410 0.89 PTGS2 (0.47) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL8558989 0.88 ALDH1A1 (0.46) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL8559393 0.88 KMO (0.47) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL8559259 0.87 MAPT (0.47) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL9026442 0.87 ALDH1A1 (0.46) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL8558062 0.85 ALDH1A1 (0.47) MAPTALDH1A1LMNASLC40A1TSHR

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed