SCHEMBL4615776

SCHEMBL4615776

CC(N)n1/c(=N/N)sc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 2/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 6/20 0.41
F12 P00748 1/20 0.40
LMNA P02545 2/20 0.38
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NSD2 O96028 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.34
HIF1A Q16665 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
SCHEMBL4615946 0.85 ALDH1A1 (0.50) KMT2AALDH1A1MEN1GAAATM
SCHEMBL5283708 0.80 MAPT (0.42) KMT2AALDH1A1MEN1GAAATM
SCHEMBL4616539 0.77 SLC6A2 (0.51) ALDH1A1ATMF12LMNANPC1
SCHEMBL3966960 0.75 MAPT (0.64) KMT2AALDH1A1MEN1GAAATM
SCHEMBL1645310 0.75 MAPT (0.64) KMT2AALDH1A1MEN1GAAATM
SCHEMBL29427484 0.75 MAPT (0.64) KMT2AALDH1A1MEN1GAAATM
SCHEMBL566154 0.75 MAPT (0.64) KMT2AALDH1A1MEN1GAAATM
SCHEMBL29365359 0.75 MAPT (0.64) KMT2AALDH1A1MEN1GAAATM
Hydrochloric Acid SCHEMBL691147 0.74 MAPT (0.62) KMT2AALDH1A1MEN1GAAATM
Hydrochloric Acid SCHEMBL691148 0.74 MAPT (0.62) 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 20 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-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP claimed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
EP-1699427-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP claimed
EP-1699426-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP claimed
EP-1601335-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-12-07 EP claimed
WO-2005060927-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO claimed
WO-2005060928-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO claimed
WO-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO 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-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP disclosed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed
EP-1699427-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP disclosed
EP-1699426-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 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-2005060927-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO disclosed
WO-2005060928-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO 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