SCHEMBL5389060

SCHEMBL5389060

O=C1C(=S)Nc2ccccc21.S=C1Nc2ccccc2C1=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
ALDH1A1 P00352 7/20 0.46
MAPT P10636 5/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LRRK2 Q5S007 4/20 0.44
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL28202262 0.92 MAOA (0.61) MAOAMAOBALDH1A1MAPTALOX15
SCHEMBL3077372 0.88 ALDH1A1 (0.50) MAOAMAOBALDH1A1MAPTLRRK2
SCHEMBL27467725 0.75 LRRK2 (0.61) MAOAMAOBALDH1A1MAPTLRRK2
SCHEMBL12683716 0.74 ALDH1A1 (0.59) MAOAMAOBALDH1A1MAPTALOX15
SCHEMBL2643929 0.74
SCHEMBL2511248 0.70 ALDH1A1 (0.55) MAOAMAOBALDH1A1MAPTALOX15
Indigo SCHEMBL29583322 0.70 MAOA (0.67) MAOAMAOBALDH1A1MAPTALOX15
Indigo SCHEMBL56085 0.70 MAOA (0.67) MAOAMAOBALDH1A1MAPTALOX15
Indigo SCHEMBL29829264 0.70 MAOA (0.67) MAOAMAOBALDH1A1MAPTALOX15
Isatin SCHEMBL973760 0.70 MAOA (1.00) MAOAMAOBALDH1A1MAPTLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed