SCHEMBL8720282

SCHEMBL8720282

COC(=O)Cc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
HTT P42858 1/20 0.58
MAPT P10636 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ACHE P22303 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
THRA P10827 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TP53 P04637 2/20 0.49

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
SCHEMBL8720245 0.84 TP53 (0.58) MEN1KMT2AMAPTACHECYP1A2
SCHEMBL520733 0.83 MEN1 (0.58) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL7911565 0.82 MEN1 (0.64) MEN1KMT2AHTTMAPTCYP1A2
SCHEMBL11670232 0.81 TSHR (0.59) MEN1KMT2AACHEALDH1A1THRA
SCHEMBL31067505 0.80 MAPT (0.67) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL4470153 0.80 MAPT (0.67) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL4959727 0.80 MAPT (0.55) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL521069 0.79 MAPT (0.57) MEN1KMT2AHTTMAPTCYP1A2
SCHEMBL27504159 0.79 CYP4F2 (0.56) KMT2AHTTMAPTL3MBTL1ACHE
SCHEMBL3234327 0.79 CES2 (0.68) MEN1KMT2AMAPTL3MBTL1ALDH1A1

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
WO-1998045298-A1 ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1998-10-15 WO disclosed