SCHEMBL31661858

SCHEMBL31661858

O=C(Nc1cc(Cl)cnc1Cl)c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.63
MEN1 O00255 5/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
KMT2A Q03164 5/20 0.56
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 3/20 0.52
ABL1 P00519 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GRM4 Q14833 1/20 0.52

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
SCHEMBL28880139 0.78 MAPK1 (0.61) KCNMA1MEN1NPC1RAB9AKMT2A
SCHEMBL3407320 0.77 RAB9A (0.76) MEN1NPC1RAB9AKMT2AHTT
SCHEMBL1520408 0.76 KCNMA1 (0.72) KCNMA1MEN1NPC1RAB9AKMT2A
SCHEMBL1307641 0.75 KCNMA1 (0.71) KCNMA1MEN1NPC1RAB9AKMT2A
SCHEMBL2221451 0.74 KCNMA1 (0.62) KCNMA1MEN1NPC1RAB9AKMT2A
SCHEMBL7472106 0.73 MEN1 (0.68) KCNMA1MEN1NPC1RAB9AKMT2A
SCHEMBL30117875 0.73 MEN1 (0.68) KCNMA1MEN1NPC1RAB9AKMT2A
SCHEMBL29684685 0.73 KDM4E (0.64) KCNMA1MEN1NPC1RAB9AKMT2A
SCHEMBL1306771 0.72 KCNMA1 (0.67) KCNMA1MEN1NPC1RAB9AKMT2A
SCHEMBL29684174 0.72 KCNMA1 (0.66) KCNMA1MEN1NPC1RAB9AKMT2A

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
WO-2025151311-A1 NICOTINAMIDE DERIVATIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-07-17 WO disclosed