SCHEMBL5708484

SCHEMBL5708484

Cc1csc(=NNC=O)n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
ALOX5 P09917 2/20 0.34
PTGS2 P35354 2/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 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
SCHEMBL5708535 0.82 GAA (0.34) LMNACYP1A2CYP2C19ALDH1A1L3MBTL1
SCHEMBL5708479 0.81 PTGS2 (0.51) LMNASMN1; SMN2L3MBTL1ALOX5PTGS2
SCHEMBL5708470 0.78 LMNA (0.47) LMNACYP1A2CYP2C19HTTRAB9A
SCHEMBL5708520 0.77 KMT2A (0.35) LMNACYP1A2CYP2C19HTTRAB9A
SCHEMBL5708551 0.76 KMT2A (0.59) LMNAMAPK1HTTRAB9ANPC1
SCHEMBL4616637 0.74 CYP1A2 (0.56) LMNACYP1A2CYP2C19MAPK1HTT
SCHEMBL4616638 0.74 CYP1A2 (0.56) LMNACYP1A2CYP2C19MAPK1HTT
SCHEMBL23728036 0.74 CYP1A2 (0.51) LMNACYP1A2CYP2C19MAPK1HTT
SCHEMBL23728038 0.74 CYP1A2 (0.51) LMNACYP1A2CYP2C19MAPK1HTT
SCHEMBL5708543 0.73 ALDH1A1 (0.37) LMNACYP1A2CYP2C19HTTRAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 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
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed
EP-1599179-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078153-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed