SCHEMBL4615558

SCHEMBL4615558

CC(C)n1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.36
PTGS1 P23219 7/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 2/20 0.32
XIAP P98170 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL4615561 1.00 PTGS2 (0.36) PTGS2PTGS1ALDH1A1MEN1GAA
SCHEMBL4616015 0.84 ALDH1A1 (0.39) PTGS2ALDH1A1MEN1GAAKMT2A
SCHEMBL4616016 0.84 ALDH1A1 (0.39) PTGS2ALDH1A1MEN1GAAKMT2A
SCHEMBL5616681 0.83 ALDH1A1 (0.34) PTGS2PTGS1ALDH1A1GAAKDM4E
SCHEMBL5286269 0.80 PTGS1 (0.31) PTGS2PTGS1ALDH1A1HSD17B10KDM4E
SCHEMBL5285754 0.80 PTGS1 (0.31) PTGS2PTGS1ALDH1A1HSD17B10KDM4E
SCHEMBL4614054 0.79 ALDH1A1 (0.37) PTGS2PTGS1ALDH1A1MEN1GAA
SCHEMBL4614058 0.79 ALDH1A1 (0.37) PTGS2PTGS1ALDH1A1MEN1GAA
SCHEMBL4613519 0.78 ALDH1A1 (0.38) PTGS2PTGS1ALDH1A1GAAHSD17B10
SCHEMBL4613516 0.78 ALDH1A1 (0.38) PTGS2PTGS1ALDH1A1GAAHSD17B10

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-1699426-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP claimed
EP-1599179-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 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-2004078153-A1 AGENT AND METHOD FOR DYEING 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-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-2004078153-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 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