SCHEMBL9913556

SCHEMBL9913556

Nc1ccc(C2=CC2)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.72
▸ MEN1 O00255 5/20 0.72
▸ KMT2A Q03164 5/20 0.72
▸ TDP1 Q9NUW8 4/20 0.72
▸ POLB P06746 3/20 0.72
▸ ALDH1A1 P00352 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ GALR3 O60755 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ PKM P14618 1/20 0.45
▸ MCL1 Q07820 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL737722 0.85 MAPT (1.00) MAPTMEN1KMT2ATDP1POLB
SCHEMBL29409289 0.85 MAPT (1.00) MAPTMEN1KMT2ATDP1POLB
SCHEMBL17736221 0.81 TDP1 (0.60) MAPTMEN1KMT2ATDP1POLB
Hydrochloric Acid SCHEMBL3973011 0.81 MAPT (0.92) MAPTMEN1KMT2ATDP1POLB
Hydrochloric Acid SCHEMBL3973012 0.81 MAPT (0.92) MAPTMEN1KMT2ATDP1POLB
SCHEMBL8601406 0.79 MAPT (0.88) MAPTMEN1KMT2ATDP1POLB
SCHEMBL31094848 0.79 MAPT (0.57) MAPTMEN1KMT2ATDP1POLB
SCHEMBL5817998 0.79 TDP1 (0.57) MAPTMEN1KMT2ATDP1POLB
SCHEMBL10714493 0.78 TDP1 (0.85) MAPTMEN1KMT2ATDP1POLB
SCHEMBL3178960 0.78 MAPT (0.85) MAPTMEN1KMT2ATDP1POLB

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
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 — — WO disclosed
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