SCHEMBL6204415

SCHEMBL6204415

NCc1c[c]ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
KAT2B Q92831 2/20 0.33
TDP1 Q9NUW8 6/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
GAA P10253 1/20 0.32
CTSD P07339 1/20 0.32
SNCA P37840 1/20 0.32
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL3335602 0.85 ALDH1A1 (0.42) ALDH1A1HPGDTSHRTDP1MEN1
SCHEMBL457758 0.83 ALDH1A1 (0.41) ALDH1A1HPGDTSHRTDP1MEN1
SCHEMBL11632629 0.81 ALDH1A1 (0.56) ALDH1A1HPGDTSHRTDP1MEN1
SCHEMBL27416167 0.81 ALDH1A1 (0.40) ALDH1A1HPGDTSHRTDP1MEN1
SCHEMBL7290800 0.81 ALDH1A1 (0.43) ALDH1A1HPGDTSHRTDP1SNCA
SCHEMBL29141200 0.79 ALDH1A1 (0.38) ALDH1A1HPGDTSHRTDP1MEN1
SCHEMBL27892168 0.79 ALDH1A1 (0.41) ALDH1A1HPGDTSHRPOLBSNCA
SCHEMBL8927043 0.77 ALDH1A1 (0.37) ALDH1A1HPGDTSHRTDP1MEN1
SCHEMBL13835837 0.77 CYP1A2 (0.51) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL57882 0.76 TSHR (0.40) ALDH1A1TSHRTDP1MEN1KMT2A

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
CN-100393705-C Developer component and use thereof for dyeing keratin fibres HENKEL KGAA (DE) 2008-06-11 CN disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
CN-1578771-A Developer components and their use for dyeing keratinic fibers HENKEL KGAA (DE) 2005-02-09 CN disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed