SCHEMBL5708557

SCHEMBL5708557

Cc1csc(=NNC=O)n1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL5708497 0.74 SMN1; SMN2 (0.38) MAPK1HTTNPC1TP53RAB9A
SCHEMBL5708484 0.74 LMNA (0.48) MAPK1HTTNPC1TP53RAB9A
SCHEMBL5708491 0.70 MAPT (0.44) MAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL5708482 0.69 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4615529 0.69
SCHEMBL4616268 0.63 MAPK1 (0.46) MAPK1HTTNPC1TP53RAB9A
SCHEMBL4616271 0.63 MAPK1 (0.46) MAPK1HTTNPC1TP53RAB9A
SCHEMBL9303727 0.60 NPC1 (0.33) MAPK1HTTNPC1TP53RAB9A
SCHEMBL17107186 0.60 RAB9A (1.00) MAPK1HTTNPC1TP53RAB9A
SCHEMBL5708516 0.59 CNR2 (0.33)

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 4 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-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