SCHEMBL29830171

SCHEMBL29830171

O=S(=O)(Nc1cc(F)c(C2CC2)nc1F)c1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 10/20 0.46
CCR2 P41597 4/20 0.39
CYP1A2 P05177 1/20 0.37
SLC40A1 Q9NP59 3/20 0.36
SLC6A4 P31645 1/20 0.36
TDO2 P48775 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
SCHEMBL23610281 1.00 SGK1 (0.46) SGK1CCR2CYP1A2SLC40A1SLC6A4
SCHEMBL23610285 0.88 SGK1 (0.43) SGK1CCR2CYP1A2SLC40A1
SCHEMBL29829649 0.88 SGK1 (0.43) SGK1CCR2CYP1A2SLC40A1
SCHEMBL21596696 0.86 CCR2 (0.43) SGK1CCR2SLC40A1
SCHEMBL29365104 0.86 CCR2 (0.43) SGK1CCR2SLC40A1
SCHEMBL21596681 0.86 SGK1 (0.40) SGK1CCR2CYP1A2
SCHEMBL29829557 0.86 SGK1 (0.40) SGK1CCR2CYP1A2
SCHEMBL21596663 0.84 CCR2 (0.44) SGK1CCR2SLC40A1
SCHEMBL29829935 0.84 CCR2 (0.44) SGK1CCR2SLC40A1
SCHEMBL21596672 0.82 SGK1 (0.42) SGK1CCR2SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112469710-B Pyridyl and pyrazinyl- (aza) indole sulfonamides 优时比制药有限公司 2024-05-14 CN claimed
EP-3810591-B1 PYRIDINYL AND PYRAZINYL-(AZA)INDOLSULFONAMIDES UCB PHARMA GMBH (DE) 2022-08-10 EP claimed
CN-112469710-B Pyridyl and pyrazinyl- (aza) indole sulfonamides 优时比制药有限公司 2024-05-14 CN disclosed