SCHEMBL11304593

SCHEMBL11304593

O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)[S+]([O-])c1ccccc1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 7/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 5/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ ALDH1A1 P00352 8/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL11664480 0.87 TDP1 (0.42) TDP1TSHRCYP1A2HSD17B10MEN1
SCHEMBL15153603 0.85 ALDH1A1 (0.42) TDP1TSHRCYP1A2HSD17B10MEN1
SCHEMBL74684 0.85 TSHR (0.39) TDP1TSHRCYP1A2HSD17B10MEN1
SCHEMBL11502496 0.81 ALDH1A1 (0.37) TDP1TSHRCYP1A2HSD17B10MEN1
SCHEMBL472544 0.80 MEN1 (0.45) TSHRCYP1A2HSD17B10MEN1KMT2A
SCHEMBL8086579 0.77 MEN1 (0.45) TSHRCYP1A2HSD17B10MEN1KMT2A
SCHEMBL9282832 0.74 GPR35 (0.42) TDP1TSHRHSD17B10MEN1KMT2A
SCHEMBL5596768 0.71 TDP1 (0.40) TDP1TSHRCYP1A2HSD17B10MEN1
SCHEMBL10902182 0.71 TDP1 (0.38) TDP1TSHRHSD17B10MEN1KMT2A
SCHEMBL10449700 0.71 CYP1A2 (0.53) TDP1TSHRCYP1A2HSD17B10MEN1

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
JP-56144432-A — — None — — JP disclosed
JP-S56144432-A LAMINATE TYPE ELECTROPHOTOGRAPHIC RECEPTOR RICOH CO LTD 1981-11-10 — — JP disclosed
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