SCHEMBL31661836

SCHEMBL31661836

COC(=O)c1ccsc1NC(=O)c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.71
LMNA P02545 2/20 0.67
HPGD P15428 4/20 0.66
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KMT2A Q03164 7/20 0.60
MEN1 O00255 5/20 0.60
USP2 O75604 1/20 0.60
ALDH1A1 P00352 5/20 0.59
GLA P06280 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 3/20 0.58
POLB P06746 2/20 0.58
MAPK1 P28482 1/20 0.58
MAPK10 P53779 1/20 0.51

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
SCHEMBL2155229 0.84 MAPK8 (0.70) LMNAHPGDKMT2AMEN1ALDH1A1
SCHEMBL14095084 0.84 KDM4E (0.74) KDM4EHPGDTDP1L3MBTL1KMT2A
SCHEMBL4703988 0.84 KDM4E (1.00) KDM4ELMNAHPGDTDP1L3MBTL1
SCHEMBL22983344 0.77 TP53 (0.77) KDM4ELMNAHPGDL3MBTL1KMT2A
SCHEMBL6542858 0.76 KDM4E (0.60) KDM4ELMNAHPGDKMT2AMEN1
SCHEMBL17859660 0.76 KDM4E (0.72) KDM4EHPGDTDP1L3MBTL1KMT2A
SCHEMBL204732 0.74 KDM4E (0.65) KDM4ELMNAHPGDL3MBTL1KMT2A
SCHEMBL14880158 0.74 RAB9A (0.70) LMNATDP1KMT2AALDH1A1RAB9A
SCHEMBL7398166 0.74 MAPK10 (0.69) KDM4EHPGDTDP1L3MBTL1KMT2A
SCHEMBL267882 0.74 KDM4E (0.69) KDM4EHPGDTDP1L3MBTL1KMT2A

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