SCHEMBL8558631

SCHEMBL8558631

CS(=O)(=O)c1ccccc1-c1nccn1-c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.58
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 2/20 0.38
KMT2A Q03164 1/20 0.37
NR3C2 P08235 1/20 0.36
PTGS2 P35354 2/20 0.36
BAZ2B Q9UIF8 2/20 0.35
BAZ2A Q9UIF9 2/20 0.35
BRD9 Q9H8M2 1/20 0.35
MET P08581 1/20 0.35
PTGS1 P23219 1/20 0.34
PDE2A O00408 1/20 0.34
NFE2L2 Q16236 2/20 0.34
HCAR1 Q9BXC0 1/20 0.34

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
SCHEMBL5594919 0.82 HSD11B1 (0.51) HSD11B1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL5594208 0.76 ALDH1A1 (0.46) HSD11B1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL2746882 0.73 HSD11B1 (1.00) HSD11B1RAB9AKDM4EALDH1A1
SCHEMBL12342913 0.72 CYP3A4 (0.47) HSD11B1KDM4EALDH1A1NR3C2HCAR1
SCHEMBL4730158 0.69 IDO1 (0.45) RAB9AALDH1A1KMT2APTGS2
SCHEMBL13073299 0.67 IDO1 (0.46) METHCAR1
SCHEMBL11878614 0.66 AKT1 (0.41) L3MBTL1
SCHEMBL8801286 0.66 ALDH1A1 (0.37) HSD11B1ALDH1A1P2RX7KMT2ANR3C2
SCHEMBL28317148 0.66 KDR (0.43)
SCHEMBL16113473 0.66 ALOX5AP (0.48) HSD11B1RAB9AKDM4EALDH1A1KMT2A

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
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP disclosed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO disclosed