SCHEMBL14608472

SCHEMBL14608472

O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(/N=N\c3ccc(N=Nc4c(O)c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)ccc45)c4ccccc34)ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.77
▸ TDP1 Q9NUW8 2/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ THRB P10828 1/20 0.77
▸ CYP1A2 P05177 4/20 0.70
▸ HIF1A Q16665 3/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ CYP2C9 P11712 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PTPRA P18433 1/20 0.55
▸ PTPRB P23467 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ RAPGEF4 Q8WZA2 1/20 0.55
▸ ENPP2 Q13822 7/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ DNASE1L3 Q13609 1/20 0.52
▸ PTPRC P08575 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ PTPN1 P18031 1/20 0.51

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
SCHEMBL14418524 0.89 ALDH1A1 (0.74) KMT2ATDP1MEN1THRBCYP1A2
Amaranth SCHEMBL185412 0.88 THRB (0.98) KMT2ATDP1MEN1THRBCYP1A2
Amaranth SCHEMBL9577797 0.88 THRB (0.98) KMT2ATDP1MEN1THRBCYP1A2
Amaranth SCHEMBL4807654 0.88 THRB (0.98) KMT2ATDP1MEN1THRBCYP1A2
Amaranth SCHEMBL27515187 0.88 THRB (0.98) KMT2ATDP1MEN1THRBCYP1A2
Amaranth SCHEMBL473254 0.88 THRB (0.98) KMT2ATDP1MEN1THRBCYP1A2
Amaranth SCHEMBL1461501 0.87 THRB (0.96) KMT2ATDP1MEN1THRBCYP1A2
SCHEMBL14608470 0.87 KMT2A (0.58) KMT2ATDP1MEN1THRBCYP1A2
Amaranth SCHEMBL31222692 0.87 THRB (1.00) KMT2ATDP1MEN1THRBCYP1A2
Amaranth SCHEMBL344622 0.87 THRB (1.00) KMT2ATDP1MEN1THRBCYP1A2

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-1566415-B1 Aqueous colloidal suspension of furnace black DEGUSSA (DE) 2007-02-28 — — EP disclosed
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