SCHEMBL28513540

SCHEMBL28513540

CCCCSC(=S)Nc1ccccc1.[Zn]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
NPSR1 Q6W5P4 2/20 0.64
PHGDH O43175 1/20 0.52
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.46
TAS2R38 P59533 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MAPT P10636 4/20 0.43
EPHX1 P07099 3/20 0.43
GAA P10253 3/20 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
SCHEMBL31122194 0.93 ALDH1A1 (0.59) ALDH1A1NPSR1PHGDHKMT2AHPGD
SCHEMBL14602851 0.92 ALDH1A1 (0.58) ALDH1A1NPSR1PHGDHKMT2AHPGD
SCHEMBL27267591 0.88 PHGDH (0.57) ALDH1A1NPSR1PHGDHKMT2AHPGD
SCHEMBL28501426 0.82 PHGDH (0.59) ALDH1A1PHGDHKMT2AHPGDTAS2R38
SCHEMBL3723780 0.80 PHGDH (0.61) ALDH1A1PHGDHKMT2AHPGDTAS2R38
SCHEMBL21753955 0.79 PHGDH (0.59) ALDH1A1PHGDHKMT2AHPGDTAS2R38
SCHEMBL27539035 0.79 PHGDH (0.46) ALDH1A1NPSR1PHGDHKMT2AHPGD
SCHEMBL17415679 0.78 ALDH1A1 (1.00) ALDH1A1NPSR1KMT2AHPGDHDAC3
SCHEMBL11876261 0.77 CYP1A2 (0.54) ALDH1A1NPSR1KMT2ACYP3A4CYP1A2
SCHEMBL2705065 0.75 PHGDH (0.53) ALDH1A1NPSR1PHGDHKMT2ATAS2R38

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
CN-112004898-A Adhesive tape 电化株式会社 2020-11-27 CN disclosed