SCHEMBL10358601

SCHEMBL10358601

C=CCNC(=O)CCSc1nc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 5/20 0.63
POLB P06746 3/20 0.63
HPGD P15428 2/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
HSD17B10 Q99714 1/20 0.63
L3MBTL1 Q9Y468 3/20 0.60
TP53 P04637 1/20 0.60
ALOX5 P09917 3/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
LMNA P02545 6/20 0.56
HTT P42858 3/20 0.56
RECQL P46063 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
STAT3 P40763 1/20 0.55
MEN1 O00255 1/20 0.53

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
SCHEMBL10358385 0.84 SMN1; SMN2 (0.67) MAPTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL10358371 0.83 SMN1; SMN2 (0.66) MAPTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL4984046 0.81 MAPT (0.73) MAPTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL9811103 0.79 POLB (0.63) MAPTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL10358374 0.78 ALOX5 (0.60) MAPTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL144880 0.78 SMN1; SMN2 (1.00) MAPTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL29367809 0.78 SMN1; SMN2 (1.00) MAPTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL10643875 0.77 SMN1; SMN2 (0.64) MAPTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL13629729 0.77 SMN1; SMN2 (0.76) MAPTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL29229036 0.77 SMN1; SMN2 (0.97) MAPTALDH1A1SMN1; SMN2POLBHPGD

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-0161222-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID AMIDES, IMIDES AND NITRILES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1990-10-10 EP disclosed
US-4719036-A PAINTS; METAL WORKING CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
EP-0161222-A2 Heterocyclic mercaptocarboxylic-acid amides, imides and nitriles as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed