SCHEMBL4616458

SCHEMBL4616458

Cn1c(C(=O)O)csc1=NN

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
GPR35 Q9HC97 2/20 0.33
MCL1 Q07820 2/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL4616455 1.00 ALDH1A1 (0.37) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5289641 0.77 NPC1 (0.35) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL7172236 0.71 HSD17B10 (0.37) ALDH1A1SMN1; SMN2HSD17B10MAPK1GFER
SCHEMBL4616229 0.65 MAPK1 (0.33) MAPK1HTT
Hydrochloric Acid SCHEMBL4824857 0.64 SMN1; SMN2 (0.46) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4619948 0.64 MCL1 (0.37) ALDH1A1HSD17B10GFERGPR35MCL1
SCHEMBL4613808 0.61 MAPT (0.46) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL71983 0.61 MCL1 (0.48) ALDH1A1TP53SMN1; SMN2HSD17B10MAPK1
SCHEMBL4614835 0.60 CA12 (0.45) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL17554479 0.58 KDM1A (0.64) ALDH1A1NPC1TP53RAB9ASMN1; SMN2

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 3 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