SCHEMBL4613574

SCHEMBL4613574

Cn1/c(=N/N)sc2c(Cl)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
NPC1 O15118 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 6/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
PRMT5 O14744 1/20 0.33
PSMB8 P28062 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
NSD2 O96028 1/20 0.31
MCL1 Q07820 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4613576 1.00 RAB9A (0.37) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL5277842 0.78 MAPT (0.40) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL5277846 0.78 MAPT (0.40) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL4614857 0.78 NPSR1 (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4614853 0.78 NPSR1 (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4615356 0.76 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL4615357 0.76 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL4617255 0.74 MEN1 (0.38) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL566154 0.72 MAPT (0.64) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL3966960 0.72 MAPT (0.64) RAB9ANPC1SMN1; SMN2MAPTGAA

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 18 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-1601335-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-12-07 EP 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-1699426-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP disclosed
EP-1699427-A1 AGENT AND METHOD FOR OXIDATIVELY DYING 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