SCHEMBL7532076

SCHEMBL7532076

Cc1cc(-c2ccccc2)nc(S(C)(=O)=O)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.65
NPSR1 Q6W5P4 6/20 0.63
SDHB P21912 5/20 0.63
KMT2A Q03164 5/20 0.63
LMNA P02545 5/20 0.63
HPGD P15428 4/20 0.63
STAT3 P40763 2/20 0.63
STAT1 P42224 2/20 0.63
HTT P42858 2/20 0.63
RAB9A P51151 2/20 0.63
TLR9 Q9NR96 2/20 0.63
TP53 P04637 2/20 0.63
MEN1 O00255 1/20 0.63
S1PR4 O95977 1/20 0.63
POLB P06746 1/20 0.63
S1PR1 P21453 1/20 0.63
MAPK1 P28482 1/20 0.63
HSD17B10 Q99714 1/20 0.63
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 8/20 0.50

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
SCHEMBL5593297 0.82 SDHB (0.68) BPTFNPSR1SDHBKMT2ALMNA
SCHEMBL14194280 0.82 RAB9A (0.48) BPTFNPSR1SDHBKMT2ALMNA
SCHEMBL5592833 0.81 BPTF (0.63) BPTFNPSR1SDHBKMT2ALMNA
SCHEMBL5593055 0.80 BPTF (0.61) BPTFNPSR1SDHBKMT2ALMNA
SCHEMBL5592879 0.80 KMT2A (0.62) BPTFNPSR1SDHBKMT2ALMNA
SCHEMBL7871659 0.80 SDHB (0.62) BPTFNPSR1SDHBKMT2ALMNA
SCHEMBL7528348 0.79 LMNA (0.64) BPTFNPSR1SDHBKMT2ALMNA
SCHEMBL5593019 0.78 BPTF (0.58) BPTFNPSR1SDHBKMT2ALMNA
SCHEMBL29975914 0.78 NPSR1 (1.00) BPTFNPSR1SDHBKMT2ALMNA
SCHEMBL5592890 0.78 BPTF (0.58) BPTFNPSR1SDHBKMT2ALMNA

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-1359376-A Carboxylic acid derivatives compriosing aryl-substituted nitrogen heterocycles, their production and their use as endothel in receptor antagonists BASF AG (DE) 2002-07-17 CN disclosed
EP-1181281-A2 NOVEL CARBOXYLIC ACID DERIVATIVES COMPRISING ARYL-SUBSTITUTED NITROGEN HETEROCYCLES, THEIR PRODUCTION AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000073276-A2 CARBOXYLIC ACID DERIVATIVES COMPRISING ARYL-SUBSTITUTED NITROGEN HETEROCYCLES, THEIR PRODUCTION AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-12-07 WO disclosed