SCHEMBL8869813

SCHEMBL8869813

COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)NC(=O)c3ccc(C(=O)NCC(=O)OCc4ccccc4)nc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 2/20 0.49
PPARA Q07869 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
OPRK1 P41145 2/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCL2L1 Q07817 3/20 0.44
MCL1 Q07820 3/20 0.44

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
SCHEMBL8867950 0.94 P4HTM (0.48) P4HTMKMT2AMEN1PPARARAB9A
SCHEMBL8869506 0.94 P4HTM (0.50) P4HTMKMT2AMEN1PPARARAB9A
SCHEMBL8869509 0.93 SMN1; SMN2 (0.54) P4HTMKMT2AMEN1ALDH1A1PPARA
SCHEMBL8867921 0.91 MAPT (0.54) P4HTMKMT2AMEN1ALDH1A1PPARA
SCHEMBL8869589 0.91 MAPT (0.54) P4HTMKMT2AMEN1ALDH1A1PPARA
SCHEMBL8868823 0.91 SMN1; SMN2 (0.50) P4HTMKMT2AMEN1ALDH1A1PPARA
SCHEMBL8868573 0.91 BCL2L1 (0.51) P4HTMKMT2AMEN1PPARARAB9A
SCHEMBL8867935 0.91 BCL2L1 (0.51) P4HTMKMT2AMEN1PPARARAB9A
SCHEMBL8869027 0.90 P4HTM (0.55) P4HTMKMT2AMEN1ALDH1A1PPARA
SCHEMBL9139317 0.90 P4HTM (0.55) P4HTMKMT2AMEN1ALDH1A1PPARA

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