SCHEMBL8424588

SCHEMBL8424588

N#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1SCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
SLC22A12 Q96S37 4/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 2/20 0.45
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
RAB9A P51151 2/20 0.41

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
SCHEMBL8419412 0.90 ALDH1A1 (0.43) TSHRSLC22A12ALDH1A1MAPTKDM4E
SCHEMBL8423191 0.86 CCR2 (0.45) SLC22A12ALDH1A1MAPTLMNAPOLB
SCHEMBL8421622 0.84 ALDH1A1 (0.40) SLC22A12ALDH1A1MAPTLMNAPPARG
SCHEMBL8421072 0.84 SQOR (0.47) SLC22A12KMT2AMEN1MAP2K7MAP2K4
SCHEMBL8421510 0.82 SLC22A12 (0.39) SLC22A12ALDH1A1HPGDMAPTLMNA
SCHEMBL8421498 0.81 ALDH1A1 (0.44) TSHRSLC22A12ALDH1A1HPGDMAPT
SCHEMBL8519903 0.81 MAPT (0.41) TSHRSLC22A12ALDH1A1HPGDMAPT
SCHEMBL8423226 0.80 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ELMNAPOLB
SCHEMBL8101739 0.79 MAPK13 (0.54) TSHRALDH1A1HPGDMAPTHIF1A
SCHEMBL8420124 0.79 ALDH1A1 (0.39) TSHRSLC22A12ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed