SCHEMBL9839023

SCHEMBL9839023

O=[N+]([O-])c1cccc2c(/C=C/c3cccc4c([N+](=O)[O-])cccc34)cccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.72
▸ ALDH1A1 P00352 5/20 0.57
▸ NCOA1 Q15788 1/20 0.53
▸ NCOA3 Q9Y6Q9 1/20 0.53
▸ ERN1 O75460 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ RXRA P19793 1/20 0.49
▸ CTSB P07858 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GPR35 Q9HC97 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SOS1 Q07889 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9839029 1.00 TDP1 (0.72) TDP1ALDH1A1NCOA1NCOA3ERN1
SCHEMBL1394957 0.86 TDP1 (0.69) TDP1ALDH1A1NCOA1NCOA3ERN1
SCHEMBL57166 0.85 TDP1 (1.00) TDP1ALDH1A1NCOA1NCOA3GAA
SCHEMBL29475175 0.85 TDP1 (1.00) TDP1ALDH1A1NCOA1NCOA3GAA
SCHEMBL28093598 0.83 TDP1 (0.95) TDP1ALDH1A1NCOA1NCOA3GAA
SCHEMBL25822348 0.81 TDP1 (0.51) TDP1ALDH1A1NCOA1NCOA3ERN1
SCHEMBL9978289 0.79 MAPT (0.69) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL14935499 0.79 MAPT (0.69) ALDH1A1MAPTKMT2ANPC1RAB9A
Methyl Alcohol SCHEMBL28304524 0.79 TDP1 (0.86) TDP1ALDH1A1NCOA1NCOA3GAA
SCHEMBL11049170 0.79 MAPT (0.69) ALDH1A1MAPTKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3184945-A — — None — — JP disclosed
JP-59073548-A — — None — — JP disclosed
JP-H03184945-A NEW DIAMINO COMPOUND RICOH CO LTD 1991-08-12 — — JP disclosed
JP-S5973548-A NOVEL DIAMINO COMPOUND, NOVEL DISAZO COMPOUND, AND ITS PREPARATION RICOH CO LTD 1984-04-25 — — JP disclosed
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