SCHEMBL8558062

SCHEMBL8558062

Cc1cc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.45
EDNRB P24530 7/20 0.44
EDNRA P25101 7/20 0.44
SLC40A1 Q9NP59 2/20 0.42
TSHR P16473 2/20 0.40
LIMK2 P53671 3/20 0.40
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD4 O60885 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.92 MAPT (0.42) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL8559259 0.92 MAPT (0.47) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL9025734 0.91 ALDH1A1 (0.44) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL8559393 0.91 KMO (0.47) ALDH1A1MAPTLMNASLC40A1TSHR
SCHEMBL8561399 0.91 ALDH1A1 (0.49) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL8556990 0.88 MAPT (0.47) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL8559468 0.87 ALDH1A1 (0.44) ALDH1A1MAPTLMNASLC40A1TSHR
SCHEMBL9026338 0.87 LMNA (0.49) ALDH1A1MAPTLMNATSHRLIMK2
SCHEMBL8557213 0.86 MAPT (0.47) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL8561122 0.85 MAPT (0.44) ALDH1A1MAPTLMNASLC40A1TSHR

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