SCHEMBL8868124

SCHEMBL8868124

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 3/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MAPT P10636 1/20 0.49
NLRP3 Q96P20 2/20 0.48
KMT2A Q03164 2/20 0.47
P4HTM Q9NXG6 1/20 0.47
GAA P10253 1/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
CNR2 P34972 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8869327 0.94 CA1 (0.57) TSHRALDH1A1CA1CA2CA7
SCHEMBL8868086 0.94 TSHR (0.54) TSHRNPC1RAB9AALDH1A1CA1
SCHEMBL8868966 0.93 TSHR (0.58) TSHRNPC1RAB9AALDH1A1CA1
SCHEMBL8868963 0.93 TSHR (0.54) TSHRNPC1RAB9AALDH1A1CA1
SCHEMBL8868857 0.92 TSHR (0.61) TSHRNPC1RAB9AALDH1A1CA1
SCHEMBL8868956 0.92 TSHR (0.53) TSHRNPC1RAB9AALDH1A1CA1
SCHEMBL8869427 0.92 LMNA (0.50) TSHRALDH1A1MAPTNLRP3KMT2A
SCHEMBL8869757 0.91 TSHR (0.60) TSHRNPC1RAB9AALDH1A1CA1
SCHEMBL8868437 0.91 TSHR (0.52) TSHRNPC1RAB9AALDH1A1CA1
SCHEMBL8868428 0.90 CNR2 (0.54) TSHRNPC1RAB9AALDH1A1CA1

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