SCHEMBL9454555

SCHEMBL9454555

CCCCCCCCCCOc1cc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2C#N)c2ccccc2c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP19A1 P11511 4/20 0.35
▸ MAPT P10636 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ RRM1 P23921 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CHUK O15111 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKCG P05129 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32

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
SCHEMBL9454561 1.00 ALDH1A1 (0.37) ALDH1A1HPGDMEN1KMT2ACYP19A1
SCHEMBL3171270 0.91 CYP19A1 (0.39) MEN1KMT2ACYP19A1MAPTGAA
SCHEMBL9349703 0.91 CYP19A1 (0.39) MEN1KMT2ACYP19A1MAPTGAA
SCHEMBL31462867 0.91 CYP19A1 (0.39) MEN1KMT2ACYP19A1MAPTGAA
SCHEMBL3171264 0.91 CYP19A1 (0.39) MEN1KMT2ACYP19A1MAPTGAA
SCHEMBL9349700 0.91 CYP19A1 (0.39) MEN1KMT2ACYP19A1MAPTGAA
SCHEMBL9349839 0.87 MAPT (0.40) ALDH1A1HPGDMEN1KMT2ACYP19A1
SCHEMBL9349828 0.87 MAPT (0.40) ALDH1A1HPGDMEN1KMT2ACYP19A1
SCHEMBL9454225 0.87 CYP19A1 (0.41) ALDH1A1HPGDMEN1KMT2ACYP19A1
SCHEMBL9353332 0.87 CYP19A1 (0.41) ALDH1A1HPGDMEN1KMT2ACYP19A1

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
US-5194389-A PH indicators BOEHRINGER MANNHEIM GMBH (DE) 1993-03-16 — — US disclosed
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