SCHEMBL8869079

SCHEMBL8869079

O=C(NCCOc1ccccc1)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
P4HTM Q9NXG6 3/20 0.52
NPC1 O15118 8/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 1/20 0.49
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 2/20 0.44
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
F10 P00742 1/20 0.44
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL9138505 0.93 P4HTM (0.62) RAB9AP4HTMNPC1SMN1; SMN2HPGD
SCHEMBL8870376 0.91 RAB9A (0.52) RAB9AP4HTMNPC1SMN1; SMN2HPGD
SCHEMBL8869710 0.91 P4HTM (0.56) RAB9AP4HTMNPC1SMN1; SMN2HPGD
SCHEMBL8869820 0.90 RAB9A (0.51) RAB9AP4HTMNPC1SMN1; SMN2HPGD
SCHEMBL9139840 0.90 RAB9A (0.54) RAB9AP4HTMNPC1SMN1; SMN2HPGD
SCHEMBL8869595 0.90 P4HTM (0.49) RAB9AP4HTMHPGDTP53
SCHEMBL7870551 0.89 RAB9A (0.49) RAB9AP4HTMNPC1SMN1; SMN2HPGD
SCHEMBL9143465 0.88 RAB9A (0.53) RAB9AP4HTMNPC1SMN1; SMN2HPGD
SCHEMBL8870268 0.88 P4HTM (0.47) RAB9AP4HTMHPGD
SCHEMBL8869265 0.87 P4HTM (0.47) RAB9AP4HTMBCL2L1MCL1CASP3

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