SCHEMBL9658772

SCHEMBL9658772

c1ccc(NNC2=NCCS2)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
TP53 P04637 1/20 0.58
LMNA P02545 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTSD P07339 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.39

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
Hydrochloric Acid SCHEMBL11749763 0.98 POLB (0.68) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL7354403 0.82 POLB (1.00) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9690709 0.80 POLB (0.50) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9690723 0.80 POLB (0.50) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9581167 0.80 ALDH1A1 (0.55) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9690774 0.76 POLB (0.46) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9690695 0.76 RAB9A (0.57) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9689564 0.76 LMNA (0.48) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9690030 0.76 NPC1 (0.47) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL11750587 0.75 MAPK1 (0.49) POLBSMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520275-A2 2-(3-Substituted phenylhydrazino)-2-thiazoline and 2-(3-substituted phenylazo)-2-thiazoline, their preparation and their use against ectoparasites BAYER AG (DE) 1992-12-30 EP disclosed
EP-0520274-A2 2-(-4-substituted-phenylhydrazino)-2-thiazoline and 2-(-4-substituted phenylazo)-2-thiazoline, their preparation and their use against ectoparasites BAYER AG (DE) 1992-12-30 EP disclosed
US-4575501-A 2-Arylhydrazino-2-thiazolines, acyl derivatives of these compounds, 2-arylazo-2-thiazolines, preparation processes, and their use for combating ectoparasites and endoparasites BAYER AKTIENGESELLSCHAFT (DE) 1986-03-11 US disclosed
EP-0073393-A1 2-Arylhydrazino-2-thiazolines, acyl derivatives of the same, 2-arylazo-2-thiazolines, process for their preparation and their use in the control of ectoparasites and endoparasites BAYER AG (DE) 1983-03-09 EP disclosed
US-4046753-A ANTHELMINTICS, HYPOTENSIVE MERCK & CO., INC. (US) 1977-09-06 US disclosed