SCHEMBL27837702

SCHEMBL27837702

O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)CC2c2c3ccccc3cc3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.64
▸ KMT2A Q03164 8/20 0.64
▸ TLR9 Q9NR96 2/20 0.64
▸ HSP90AA1 P07900 1/20 0.64
▸ MAOA P21397 1/20 0.59
▸ MAOB P27338 1/20 0.59
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ MAPT P10636 5/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ HTR1E P28566 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ S1PR3 Q99500 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.51
▸ EGFR P00533 3/20 0.51
▸ ERBB2 P04626 2/20 0.51
▸ MMP2 P08253 2/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ NR3C2 P08235 1/20 0.50

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
SCHEMBL9355987 0.86 EGFR (0.67) MEN1KMT2AL3MBTL1ATMALDH1A1
SCHEMBL28417001 0.78 EGFR (0.63) MEN1KMT2ATLR9HSP90AA1MAOA
SCHEMBL27837849 0.78 MAPT (0.44) MEN1KMT2ATLR9HSP90AA1MAOA
SCHEMBL5330451 0.78 MEN1 (1.00) MEN1KMT2ATLR9HSP90AA1MAOA
SCHEMBL31429969 0.77 CA1 (0.79) MEN1KMT2ATLR9HSP90AA1MAOA
SCHEMBL28418909 0.73 EGFR (0.64) MEN1KMT2ATLR9HSP90AA1CA1
SCHEMBL29758796 0.73 NR3C2 (0.80) MEN1KMT2ATLR9HSP90AA1MAOA
SCHEMBL27855573 0.71 MAPT (0.44) MEN1KMT2ATLR9MAPTL3MBTL1
SCHEMBL31191423 0.71 EGFR (0.71) MEN1KMT2AL3MBTL1ATMALDH1A1
SCHEMBL27889192 0.71 EGFR (0.71) MEN1KMT2AL3MBTL1ATMALDH1A1

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
CN-102295601-A Arylpyrazoline luminescent compounds with 5-position substituted by polycyclic aromatic hydrocarbon — 2011-12-28 — — CN disclosed
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