SCHEMBL6743234

SCHEMBL6743234

NC(=S)NCC=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
MAOB P27338 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
IDO1 P14902 2/20 0.44
PAM P19021 1/20 0.44
EGFR P00533 1/20 0.44
TP53 P04637 1/20 0.44
TYR P14679 1/20 0.44
TSHR P16473 1/20 0.44
TAS2R38 P59533 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9440436 0.85 MAOB (0.51) HTTMAOBPOLBKDM4EIDO1
SCHEMBL6158948 0.81 MAOB (0.49) HTTMAOBKDM4EIDO1PAM
SCHEMBL6158944 0.81 MAOB (0.49) HTTMAOBKDM4EIDO1PAM
SCHEMBL2453746 0.81 MAOB (0.57) HTTMAOBALDH1A1MAPTKDM4E
SCHEMBL10590335 0.79 MAOB (0.46) MAOBKDM4EIDO1PAM
SCHEMBL10590339 0.79 MAOB (0.46) MAOBKDM4EIDO1PAM
SCHEMBL7144203 0.79 MAOB (0.54) HTTMAOBKDM4EIDO1PAM
SCHEMBL10619606 0.77 MAOB (0.61) MAOBALDH1A1MAPTKDM4EPAM
SCHEMBL1694508 0.77 MAOB (0.61) MAOBALDH1A1MAPTKDM4EPAM
SCHEMBL1582564 0.77 MAOB (0.61) MAOBALDH1A1MAPTKDM4EPAM

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-20040259975-A1 System and method for forming photobleachable ink compositions ROBILLARD, JEAN J. (MX) 2004-12-23 US claimed