SCHEMBL8868428

SCHEMBL8868428

CCCCCOC(=O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(OC)c(OC)c3)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.51
SMPD1 P17405 2/20 0.47
ALDH1A1 P00352 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.43
NLRP3 Q96P20 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
SCHEMBL8868956 0.95 TSHR (0.53) CNR2MEN1KMT2ATSHRALDH1A1
SCHEMBL8868086 0.92 TSHR (0.54) CNR2MEN1KMT2ATSHRALDH1A1
SCHEMBL8869492 0.90 CA1 (0.53) MEN1KMT2ATSHRALDH1A1CA1
SCHEMBL8868124 0.90 TSHR (0.58) CNR2MEN1KMT2ATSHRALDH1A1
SCHEMBL8869545 0.87 CA1 (0.54) MEN1KMT2ATSHRALDH1A1CA1
SCHEMBL8868966 0.87 TSHR (0.58) CNR2MEN1KMT2ATSHRALDH1A1
SCHEMBL8869757 0.87 TSHR (0.60) CNR2MEN1KMT2ATSHRALDH1A1
SCHEMBL8868437 0.87 TSHR (0.52) CNR2KMT2ATSHRALDH1A1CA1
SCHEMBL8868963 0.86 TSHR (0.54) CNR2MEN1KMT2ATSHRALDH1A1
SCHEMBL8868857 0.86 TSHR (0.61) CNR2MEN1KMT2ATSHRALDH1A1

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
US-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed