SCHEMBL4616035

SCHEMBL4616035

Cc1s/c(=N\N)n(Cc2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 5/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
MAPK1 P28482 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
NOTUM Q6P988 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TNF P01375 1/20 0.37
CCNB2 O95067 1/20 0.37

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
SCHEMBL4616037 1.00 ALDH1A1 (0.46) ALDH1A1NPSR1LMNAKDM4ETSHR
SCHEMBL5282968 0.79 TSHR (0.44) ALDH1A1NPSR1LMNAKDM4ETSHR
SCHEMBL5282965 0.79 TSHR (0.44) ALDH1A1NPSR1LMNAKDM4ETSHR
SCHEMBL2931188 0.75 ALDH1A1 (0.58) ALDH1A1NPSR1LMNAKDM4ETSHR
SCHEMBL4616447 0.75 GSK3B (0.56) ALDH1A1NPSR1LMNAKDM4ETSHR
SCHEMBL6664632 0.74 L3MBTL1 (0.59) ALDH1A1NPSR1LMNAKDM4ETSHR
SCHEMBL4615711 0.73 CNR2 (0.31) ALDH1A1LMNAKDM4ESMN1; SMN2MAPK1
SCHEMBL4615709 0.73 CNR2 (0.31) ALDH1A1LMNAKDM4ESMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL5899714 0.73 L3MBTL1 (0.58) ALDH1A1NPSR1LMNAKDM4ETSHR
Hydrochloric Acid SCHEMBL5899716 0.73 L3MBTL1 (0.58) ALDH1A1NPSR1LMNAKDM4ETSHR

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 22 patents — showing the first 20. 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
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-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 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-1699427-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 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