SCHEMBL4613865

SCHEMBL4613865

NN=c1sc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 2/20 0.51
ATM Q13315 1/20 0.51
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IL1R1 P14778 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.34
PTGS2 P35354 6/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL4613861 1.00 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL4617250 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL4617247 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL6264981 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL4614054 0.78 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL4614058 0.78 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL5282883 0.77 CYP2C9 (0.37) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL5282886 0.77 CYP2C9 (0.37) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL5708528 0.76 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL4615558 0.74 PTGS2 (0.36) ALDH1A1MEN1KMT2AGAAATM

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-1601335-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-12-07 EP claimed
EP-1599179-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP claimed
WO-2004078153-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 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-2005060928-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO 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