SCHEMBL8306313

SCHEMBL8306313

O=C(Nc1ccccc1C(=O)O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.65
AKR1C1 Q04828 2/20 0.65
AKR1C3 P42330 1/20 0.65
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
PKM P14618 1/20 0.62
HCAR3 P49019 1/20 0.61
DHODH Q02127 2/20 0.57
CASP6 P55212 1/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
NPY1R P25929 1/20 0.56
MC4R P32245 1/20 0.56
NPY2R P49146 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA4 P22748 1/20 0.55
CA7 P43166 1/20 0.55
CHEK1 O14757 1/20 0.55

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
SCHEMBL13401489 0.88 ALDH1A1 (0.72) AKR1C2AKR1C1AKR1C3MEN1KMT2A
SCHEMBL1309081 0.82 SMN1; SMN2 (0.70) AKR1C2AKR1C1AKR1C3MEN1KMT2A
SCHEMBL7722700 0.81 ALDH1A1 (0.68) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL8303947 0.81 ALDH1A1 (0.71) MEN1KMT2AHCAR3CASP6ALDH1A1
SCHEMBL4092971 0.81 KMT2A (0.71) AKR1C2AKR1C1AKR1C3MEN1KMT2A
SCHEMBL28558521 0.81 KDM4E (0.72) AKR1C2AKR1C1AKR1C3MEN1KMT2A
SCHEMBL7717663 0.80 ALDH1A1 (0.66) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL8305753 0.80 SMN1; SMN2 (0.74) AKR1C2AKR1C1AKR1C3MEN1KMT2A
SCHEMBL8307686 0.80 ALOX5 (0.68) MEN1KMT2AHCAR3ALDH1A1MAPT
SCHEMBL15679879 0.79 MEN1 (0.62) AKR1C2AKR1C1AKR1C3MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 WO disclosed