SCHEMBL27472002

SCHEMBL27472002

NC(=S)Nc1ccccc1S(=O)(=O)O.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
TP53 P04637 1/20 0.42
TYR P14679 1/20 0.42
TSHR P16473 1/20 0.42
TAS2R38 P59533 1/20 0.42

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
SCHEMBL27469363 0.98 L3MBTL1 (0.52) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27502345 0.85 CA1 (0.49) KDM4EGAACA1CA2TTR
SCHEMBL7297478 0.83 CA1 (0.50) KDM4EGAACA1CA2TTR
SCHEMBL5483549 0.82 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3898596 0.80 ALDH1A1 (0.51) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10969521 0.80 TTR (0.41) L3MBTL1ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL3897059 0.78 ALDH1A1 (0.53) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10893116 0.77 CA2 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL27567387 0.76 TIMP3 (0.40) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7593748 0.76 L3MBTL1 (0.71) L3MBTL1ALDH1A1KDM4EMEN1KMT2A

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-1161128-C Angiogenic inhibitory compounds О 2004-08-11 CN disclosed