SCHEMBL9443236

SCHEMBL9443236

CCCCCCCCCCC(C)(C)N.CCCCCCCCCCC(C)(C)N.OC(=S)CC(C(O)=S)c1nc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.40
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.36
PKM P14618 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NFKB1 P19838 2/20 0.34

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
SCHEMBL9443275 1.00 LOXL2 (0.40) LOXL2HPGDL3MBTL1ALOX5PKM
SCHEMBL9443227 0.99 LOXL2 (0.41) LOXL2HPGDL3MBTL1ALOX5PKM
Icosylamine SCHEMBL9443139 0.88 LOXL2 (0.45) LOXL2HPGDL3MBTL1ALOX5PKM
SCHEMBL10597806 0.88 LOXL2 (0.45) LOXL2HPGDL3MBTL1ALOX5PKM
SCHEMBL9443061 0.85 NPC1 (0.40) LOXL2HPGDL3MBTL1ALOX5PKM
Methylamine SCHEMBL9443278 0.84 LOXL2 (0.51) LOXL2HPGDL3MBTL1ALOX5PKM
SCHEMBL402776 0.83 HPGD (0.53) LOXL2HPGDL3MBTL1ALOX5PKM
SCHEMBL10600426 0.83 ATP4A (0.46) LOXL2HPGDL3MBTL1ALOX5PKM
SCHEMBL9443218 0.83 NPC1 (0.44) LOXL2HPGDL3MBTL1ALOX5PKM
Ammonia Solution, Strong SCHEMBL7032984 0.82 HPGD (0.51) LOXL2HPGDL3MBTL1ALOX5PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP claimed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US claimed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP claimed
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed