SCHEMBL15423397

SCHEMBL15423397

COc1cc([N+](=O)[O-])ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(N=Nc3ccc4c(O)c(N=Nc5ccc(N=Nc6c(C(=O)O)nn(-c7ccc(S(=O)(=O)O)cc7)c6O)c(S(=O)(=O)O)c5)c(S(=O)(=O)O)cc4c3S(=O)(=O)O)c(N)c2c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ APEX1 P27695 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ SLC10A1 Q14973 1/20 0.40
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 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
SCHEMBL15423393 0.94 CD40 (0.40) MEN1KMT2ACYP3A4HPGDHSD17B10
SCHEMBL13265405 0.91 CD40 (0.41) CYP3A4HPGDHSD17B10APEX1ALOX15
SCHEMBL13265358 0.91 CD40 (0.41) CYP3A4HPGDHSD17B10APEX1ALOX15
SCHEMBL12562581 0.91 CD40 (0.37) MEN1KMT2ACYP3A4HPGDHSD17B10
SCHEMBL15355828 0.91 MEN1 (0.38) MEN1KMT2ACYP3A4HPGDHSD17B10
SCHEMBL15423392 0.90 CD40 (0.37) MEN1KMT2ACYP3A4HPGDHSD17B10
SCHEMBL12998863 0.90 CD40 (0.37) MEN1KMT2ACYP3A4HPGDHSD17B10
SCHEMBL15423398 0.90 CD40 (0.37) MEN1KMT2ACYP3A4HPGDHSD17B10
SCHEMBL15423399 0.90 CD40 (0.37) MEN1KMT2ACYP3A4HPGDHSD17B10
SCHEMBL13406835 0.90 CD40 (0.39) CYP3A4HPGDHSD17B10APEX1ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8834619-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-09-16 — — US disclosed
US-20140013997-A1 INK COMPOSITION, INK FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 — — US disclosed
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