SCHEMBL9517246

SCHEMBL9517246

CCCCCCCCCCCC(=O)OCc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(OC)c(OC)c3)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.53
TSHR P16473 1/20 0.52
SMPD1 P17405 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL9519167 1.00 CNR2 (0.53) CNR2TSHRSMPD1CA1CA2
SCHEMBL9517977 0.95 CA1 (0.52) CNR2TSHRCA1CA2CA7
SCHEMBL9515757 0.95 CA1 (0.52) CNR2TSHRCA1CA2CA7
SCHEMBL9515761 0.95 CA1 (0.53) CNR2TSHRCA1CA2CA7
SCHEMBL9516933 0.93 CNR2 (0.51) CNR2TSHRSMPD1ALDH1A1CYSLTR1
SCHEMBL9515556 0.93 CNR2 (0.51) CNR2TSHRSMPD1ALDH1A1CYSLTR1
SCHEMBL9515979 0.92 ALDH1A1 (0.57) CNR2CA1CA2CA7CA9
SCHEMBL9516960 0.91 KMT2A (0.49) CNR2NPC1RAB9AALDH1A1MAPT
SCHEMBL9517171 0.91 KMT2A (0.49) CNR2NPC1RAB9AALDH1A1MAPT
SCHEMBL9518004 0.91 KMT2A (0.49) CNR2NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed