SCHEMBL17399558

SCHEMBL17399558

CCNc1cc2oc3cc(=O)c(C)cc-3c(-c3ccccc3C(=O)N(C)CCOC(=O)Oc3ccc([N+](=O)[O-])cc3)c2cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ GAA P10253 4/20 0.33
▸ BLM P54132 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ USP2 O75604 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ PLCG1 P19174 1/20 0.33
▸ TNNI3 P19429 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ TNNT2 P45379 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ TNNC1 P63316 1/20 0.33
▸ CASP8 Q14790 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ FTO Q9C0B1 2/20 0.33

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
SCHEMBL12763980 0.93 KMT2A (0.37) KMT2AMEN1GAABLMPOLB
SCHEMBL14078008 0.92 — —
SCHEMBL12836879 0.90 KMT2A (0.32) KMT2AMEN1GAABLMPOLB
SCHEMBL12763960 0.85 ALDH1A1 (0.32) KMT2AMEN1GAABLMPOLB
SCHEMBL12836878 0.74 ABCB1 (0.35) KMT2AMEN1GAABLMPOLB
SCHEMBL14078007 0.73 MEN1 (0.32) KMT2AMEN1GAABLMPOLB
SCHEMBL14078005 0.73 — —
SCHEMBL26428065 0.72 KDM4E (0.34) KMT2AMEN1BLMUSP2CASP7
SCHEMBL22247631 0.72 FTO (0.33) KMT2AMEN1BLMUSP2CASP7
SCHEMBL25208865 0.71 KDM4E (0.34) KMT2AMEN1BLMPOLBUSP2

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-9228225-B2 Xanthene dyes BIOSEARCH TECHNOLOGIES, INC. (US) 2016-01-05 — — US disclosed
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