SCHEMBL10358374

SCHEMBL10358374

CCCCCCCCCCCCCCCCCCNC(=O)CCSc1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
ALDH1A1 P00352 4/20 0.59
POLB P06746 3/20 0.59
HPGD P15428 2/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
LMNA P02545 7/20 0.58
NPC1 O15118 2/20 0.58
HTT P42858 2/20 0.58
RAB9A P51151 2/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ATM Q13315 1/20 0.58
MAPT P10636 3/20 0.56
KMT2A Q03164 1/20 0.55
STAT3 P40763 1/20 0.55

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 0.86 SMN1; SMN2 (0.67) ALOX5SMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL10358371 0.85 SMN1; SMN2 (0.66) ALOX5SMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL10643815 0.81 ALDH1A1 (0.53) ALOX5SMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL10643728 0.81 ALDH1A1 (0.53) ALOX5SMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL10643781 0.81 ALOX5 (0.46) ALOX5SMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL10639896 0.81 ALOX5 (0.46) ALOX5SMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL19614388 0.80 CYP1A2 (0.71) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL11339285 0.80 CYP1A2 (0.71) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL11299646 0.80 CYP1A2 (0.71) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL15501213 0.80 CYP1A2 (0.71) SMN1; SMN2ALDH1A1POLBHPGDTSHR

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-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