SCHEMBL2170238

SCHEMBL2170238

CSc1nc2ccccc2s1.Cc1nc2cc(O)ccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NPC1 O15118 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 4/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 4/20 0.46
FBP1 P09467 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
MC5R P33032 1/20 0.46

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
SCHEMBL30602939 0.86 NPSR1 (0.65) SMN1; SMN2NPSR1NPC1MEN1KMT2A
SCHEMBL2337609 0.86 NPSR1 (0.65) SMN1; SMN2NPSR1NPC1MEN1KMT2A
SCHEMBL2172827 0.82 MAPT (0.58) SMN1; SMN2NPSR1NPC1MEN1KMT2A
SCHEMBL30106441 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1NPC1KMT2ARAB9A
SCHEMBL282023 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1NPC1KMT2ARAB9A
2-Mercaptobenzothiazole SCHEMBL2170236 0.80 MAPT (0.49) SMN1; SMN2NPSR1NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL31731285 0.80 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1NPC1KMT2ARAB9A
SCHEMBL29368613 0.80 ALDH1A1 (0.70) SMN1; SMN2NPSR1NPC1RAB9AMAPT
SCHEMBL316415 0.80 ALDH1A1 (0.70) SMN1; SMN2NPSR1NPC1RAB9AMAPT
SCHEMBL2675923 0.77 KEAP1 (0.65) SMN1; SMN2NPSR1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346956-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES Loctite (R & D) Limited (IE) 2011-07-27 EP disclosed
WO-2010046412-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2010-04-29 WO disclosed