SCHEMBL8519903

SCHEMBL8519903

N#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1SCc1ccc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HBB P68871 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 1/20 0.41
PSMB5 P28074 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC40A1 Q9NP59 1/20 0.36
PDE10A Q9Y233 3/20 0.36
ACLY P53396 3/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
GAA P10253 1/20 0.36
METAP2 P50579 1/20 0.35

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 0.86 ALDH1A1 (0.43) MAPTTSHRTP53SMN1; SMN2SLC22A12
SCHEMBL8421510 0.82 SLC22A12 (0.39) MAPTHPGDSLC22A12ALDH1A1LMNA
SCHEMBL8421498 0.81 ALDH1A1 (0.44) MAPTTSHRHPGDALOX15SLC22A12
SCHEMBL8423191 0.81 CCR2 (0.45) MAPTTP53SLC22A12ALDH1A1LMNA
SCHEMBL8421622 0.81 ALDH1A1 (0.40) MAPTTP53SMN1; SMN2SLC22A12ALDH1A1
SCHEMBL8424588 0.81 TSHR (0.51) MAPTTSHRHPGDALOX15SMN1; SMN2
SCHEMBL8095741 0.80 PDE10A (0.43) MAPTTSHRTP53HPGDALOX15
SCHEMBL8092688 0.80 MAPK13 (0.43) MAPTTSHRTP53HPGDALOX15
SCHEMBL8423226 0.80 ALDH1A1 (0.48) MAPTTP53ALOX15ALDH1A1LMNA
SCHEMBL8420124 0.79 ALDH1A1 (0.39) MAPTTSHRSLC22A12ALDH1A1LMNA

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