SCHEMBL7871550

SCHEMBL7871550

CCOCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCCc3ccccc3)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRK1 P41145 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 3/20 0.42
EPHX2 P34913 1/20 0.42
TP53 P04637 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
P4HTM Q9NXG6 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL9574776 0.97 ALDH1A1 (0.44) NPC1RAB9AMEN1KMT2AOPRK1
SCHEMBL7874583 0.92 NPC1 (0.45) NPC1RAB9AMEN1KMT2AOPRK1
SCHEMBL7874619 0.91 HPGD (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7867703 0.91 EGFR (0.45) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL7867827 0.91 KMT2A (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7867808 0.90 HSP90AA1 (0.44) NPC1RAB9AMEN1KMT2AOPRK1
SCHEMBL7862722 0.90 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8868756 0.89 P4HTM (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7871556 0.89 CA2 (0.47) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL7870451 0.89 NPC1 (0.46) NPC1RAB9AOPRK1SMN1; SMN2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562512-B1 Sulfonamidocarbonylpyridine-2-carboxamides and their use as medicines HOECHST AG (DE) 2001-02-21 EP disclosed
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed