SCHEMBL31661872

SCHEMBL31661872

N#Cc1ccc(C(=O)Nc2cccnc2)s1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
CYP11B1 P15538 4/20 0.58
CYP11B2 P19099 4/20 0.58
LMNA P02545 4/20 0.57
PTBP1 P26599 1/20 0.57
HTT P42858 1/20 0.57
KLF5 Q13887 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.52
NAMPT P43490 6/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL28132033 0.85 L3MBTL1 (0.72) L3MBTL1CYP11B1CYP11B2LMNAPTBP1
SCHEMBL20764081 0.80 CYP11B1 (0.64) L3MBTL1CYP11B1CYP11B2LMNAPTBP1
SCHEMBL3617594 0.80 KMT2A (0.58) LMNASMN1; SMN2HIF1ARAB9AKMT2A
SCHEMBL14625554 0.79 L3MBTL1 (0.64) L3MBTL1LMNAPTBP1HTTKLF5
SCHEMBL6678035 0.79 LMNA (0.65) L3MBTL1CYP11B1CYP11B2LMNAPTBP1
SCHEMBL1588043 0.79 L3MBTL1 (0.64) L3MBTL1CYP11B1CYP11B2LMNAPTBP1
SCHEMBL23091265 0.78 HDAC3 (0.74) L3MBTL1LMNAPTBP1HTTKLF5
SCHEMBL30501748 0.78 HDAC3 (0.74) L3MBTL1LMNAPTBP1HTTKLF5
SCHEMBL20764068 0.78 ESRRG (0.64) L3MBTL1CYP11B1CYP11B2LMNAPTBP1
SCHEMBL1586868 0.77 L3MBTL1 (0.61) L3MBTL1LMNAPTBP1HTTKLF5

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