SCHEMBL31661831

SCHEMBL31661831

N#Cc1cncc(NC(=O)c2cccs2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
HTT P42858 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
LMNA P02545 3/20 0.59
PTBP1 P26599 1/20 0.59
KLF5 Q13887 1/20 0.59
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
MAPT P10636 2/20 0.49
GFER P55789 1/20 0.49
TSHR P16473 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48

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
SCHEMBL29732825 0.82 KMT2A (0.65) MEN1KMT2AHTTSMN1; SMN2RAB9A
SCHEMBL28844966 0.82 KMT2A (0.65) MEN1KMT2AHTTSMN1; SMN2RAB9A
SCHEMBL8888157 0.80 NPC1 (0.75) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL30323190 0.75 GRM4 (0.71) SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E
SCHEMBL20524660 0.75 GRM4 (0.71) SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E
SCHEMBL1483884 0.75 RAB9A (0.61) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL6669304 0.75 HTT (1.00) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL30423494 0.74 MEN1 (0.54) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL6667286 0.74 ALDH1A1 (1.00) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL28723840 0.74 GPR35 (0.47) MEN1KMT2AHTTLMNAALDH1A1

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