SCHEMBL6294237

SCHEMBL6294237

CN1C(=O)C(c2ccccc2)C(=O)N(C)C1=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.42
GFER P55789 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2B P41595 1/20 0.42
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL64294 0.83 KMT2A (0.48) KMT2ATSHRALDH1A1GFERLMNA
SCHEMBL15460833 0.73 ALDH1A1 (0.44) KMT2ATSHRALDH1A1GFERLMNA
SCHEMBL9952138 0.73 CHEK1 (0.49) KMT2ATSHRALDH1A1GFERLMNA
SCHEMBL29915854 0.73 CHEK1 (0.49) KMT2ATSHRALDH1A1GFERLMNA
SCHEMBL24682245 0.73 MAPT (0.42) KMT2ATSHRALDH1A1LMNAMAPT
SCHEMBL24682250 0.71 APEX1 (0.45) KMT2AALDH1A1LMNAMAPTMAPK1
SCHEMBL10338582 0.71 TSHR (0.44) KMT2ATSHRALDH1A1GFERLMNA
SCHEMBL9178877 0.71 EP300 (0.50) KMT2AALDH1A1LMNAMAPTCYP1A2
SCHEMBL17070930 0.71 HPGD (0.57) KMT2ATSHRALDH1A1LMNAMAPT
SCHEMBL22281755 0.69 GAA (0.32) GSK3AGSK3BGAA

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
US-6953535-B2 Initiator system for acid dental formulations 3M ESPE AG (DE) 2005-10-11 US disclosed
US-20040097613-A1 Initiator system for acid dental formulations 3M INNOVATIVE PROPERTIES COMPANY 2004-05-20 US disclosed