SCHEMBL5708581

SCHEMBL5708581

Cn1c(C(=O)O)csc1=NNC=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GFER P55789 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5708550 0.79 KMT2A (0.46) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL4616455 0.75 ALDH1A1 (0.37) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL4616458 0.75 ALDH1A1 (0.37) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL5708497 0.73 SMN1; SMN2 (0.38) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL5289638 0.71 NPC1 (0.35) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL5289641 0.71 NPC1 (0.35) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL7172236 0.65 HSD17B10 (0.37) ALDH1A1SMN1; SMN2GFERHSD17B10
SCHEMBL5708482 0.65 NPC1 (0.42) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5708484 0.64 LMNA (0.48) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL71983 0.60 MCL1 (0.48) ALDH1A1TP53SMN1; SMN2GFERHSD17B10

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 1 patent. 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