SCHEMBL7869440

SCHEMBL7869440

CC(=O)OCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccccc3)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 2/20 0.44
PPARA Q07869 1/20 0.44
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
P4HTM Q9NXG6 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MCHR1 Q99705 1/20 0.41
BCL2L1 Q07817 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
SCHEMBL9574710 0.92 EGFR (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7870590 0.92 MAPT (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7870523 0.92 MEN1 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7862837 0.91 POLB (0.43) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL7871678 0.91 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9574656 0.91 MAPT (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7862840 0.91 CA1 (0.45) SMN1; SMN2NPC1RAB9APPARAP4HTM
SCHEMBL7869424 0.90 POLB (0.47) SMN1; SMN2OPRM1OPRD1OPRK1LMNA
SCHEMBL7874575 0.89 MAPT (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8870230 0.89 P4HTM (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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