SCHEMBL12054235

SCHEMBL12054235

CCCS(=O)(=O)CCNC(=O)c1cccc(Nc2nc(Cl)nc(Nc3ccc(C)c4cccc(S(=O)(=O)O)c34)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 4/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SRC P12931 4/20 0.37
▸ ENPP3 O14638 2/20 0.37
▸ ENPP1 P22413 2/20 0.37
▸ P2RX7 Q99572 2/20 0.37
▸ P2RX2 Q9UBL9 2/20 0.37
▸ YES1 P07947 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ENTPD3 O75355 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ TDP2 O95551 1/20 0.37

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
SCHEMBL12054299 0.83 MEN1 (0.37) HPSEMAPTKDM4ELMNAGAA
SCHEMBL14087140 0.72 SRC (0.43) MAPTKDM4ELMNAGAAHPGD
SCHEMBL9010612 0.68 CHAT (0.50) ENPP3ENPP1P2RX7P2RX2MEN1
SCHEMBL12054249 0.66 TDP1 (0.45) MAPTLMNAMEN1CYP1A2PKM
SCHEMBL12062853 0.66 SNCA (0.35) ENPP3ENPP1MEN1USP2KMT2A
SCHEMBL7522485 0.65 MAPT (0.56) MAPTKDM4ELMNAGAAHPGD
SCHEMBL21163515 0.65 AURKA (0.45) MAPTKDM4EGAAHPGDPDGFRB
SCHEMBL14536688 0.64 NFKB1 (0.54) SCN9A
SCHEMBL14079900 0.64 CA12 (0.47) MAPTSRCENPP3ENPP1MEN1
SCHEMBL9778419 0.63 SMN1; SMN2 (0.45) LMNAGAAMEN1KMT2A

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-8083811-B2 Mixtures of reactive dyes and their use in a method for trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2011-12-27 — — US disclosed
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