SCHEMBL17923456

SCHEMBL17923456

Cc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)C2CCSCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.37
▸ MAPT P10636 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ LMNA P02545 3/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34

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
SCHEMBL6011856 0.91 KMT2A (0.36) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL14000182 0.90 KMT2A (0.37) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL14000172 0.90 GAA (0.37) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL14000181 0.89 CNR1 (0.37) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL14000185 0.89 TSHR (0.39) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL2236768 0.89 GAA (0.36) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL14000186 0.89 GAA (0.36) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL6011888 0.88 LMNA (0.34) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL14000173 0.88 GAA (0.35) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL14000183 0.88 LMNA (0.35) KMT2AMAPTMEN1ALDH1A1KDM4E

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
EP-2263671-B1 AMIDE DERIVATIVE-CONTAINING PHARMACEUTICAL COMPOSITION ASTELLAS PHARMA INC (JP) 2016-07-20 — — EP claimed
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