SCHEMBL4619804

SCHEMBL4619804

Cc1sc(=NN)n(-c2ccccc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 4/20 0.54
GAA P10253 2/20 0.54
ATM Q13315 1/20 0.54
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 3/20 0.34
HTT P42858 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4619801 1.00 KMT2A (0.54) KMT2AALDH1A1MEN1GAAATM
SCHEMBL4617250 0.81 ALDH1A1 (0.54) KMT2AALDH1A1MEN1GAAATM
SCHEMBL4617247 0.81 ALDH1A1 (0.54) KMT2AALDH1A1MEN1GAAATM
SCHEMBL5283231 0.77 KMT2A (0.40) KMT2AALDH1A1MEN1GAAATM
SCHEMBL5279448 0.77 KMT2A (0.40) KMT2AALDH1A1MEN1GAAATM
SCHEMBL5708520 0.74 KMT2A (0.35) KMT2AALDH1A1MEN1GAAATM
SCHEMBL18365167 0.72 KMT2A (0.60) KMT2AALDH1A1MEN1GAACYP1A2
SCHEMBL4622120 0.72 GSK3B (0.52) KMT2AALDH1A1MEN1GAAGSK3A
SCHEMBL4616637 0.71 CYP1A2 (0.56) KMT2AALDH1A1MEN1GAAATM
SCHEMBL4616638 0.71 CYP1A2 (0.56) KMT2AALDH1A1MEN1GAAATM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP disclosed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed
EP-1601335-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-12-07 EP disclosed
EP-1599179-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed
WO-2004078153-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed