SCHEMBL8304557

SCHEMBL8304557

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.68
KMT2A Q03164 9/20 0.68
MAPT P10636 8/20 0.68
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
KDM4E B2RXH2 2/20 0.68
PKM P14618 1/20 0.68
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 3/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 1/20 0.58
XBP1 P17861 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HPGD P15428 1/20 0.57
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTT P42858 1/20 0.56

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
SCHEMBL27942800 0.93 KMT2A (0.72) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3645071 0.88 MEN1 (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL25390636 0.87 MEN1 (0.64) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL17512401 0.85 ALDH1A1 (0.70) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4250921 0.85 MEN1 (0.58) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL10224200 0.84 MEN1 (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1663554 0.83 PHGDH (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6813218 0.83 MEN1 (0.64) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL17512404 0.82 POLB (0.70) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3604124 0.81 KMT2A (0.74) MEN1KMT2AMAPTNPC1RAB9A

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