SCHEMBL29450348

SCHEMBL29450348

O=[N+]([O-])c1ccc(CCBr)c(Cc2cccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.43
▸ POLB P06746 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CFTR P13569 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5598378 0.77 GSK3B (0.43) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL15530300 0.73 ALDH1A1 (0.45) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL5040863 0.72 THRB (0.55) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL10884758 0.72 CYP1A2 (0.60) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL15055794 0.72 ALDH1A1 (0.56) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL25287818 0.71 GSK3B (0.45) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL6596247 0.69 ALDH1A1 (0.56) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL2595412 0.69 HSD17B10 (0.56) KMT2AALDH1A1SMN1; SMN2LMNAPDE7A
SCHEMBL12982928 0.69 ALDH1A1 (0.49) KMT2AALDH1A1LMNA
SCHEMBL30001251 0.69 HSD17B10 (0.56) KMT2AALDH1A1SMN1; SMN2LMNAPDE7A

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
EP-3200779-B1 NOVEL ANTHRANILIC ACID DERIVATIVES MAHESHWARI DIVYA (IN) 2022-03-23 — — EP disclosed
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