SCHEMBL11246682

SCHEMBL11246682

NC(=O)c1[nH]cnc1OC(=O)C12CC3CC(C1)CC([N+](=O)[O-])(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
PBK Q96KB5 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL11129141 0.83 ALDH1A1 (0.39) GDAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11265126 0.83 LMNA (0.39) GDAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11395198 0.83 GAA (0.46) GDAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11130743 0.82 GDA (0.35) GDAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11085470 0.82 THRB (0.39) GDAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11254919 0.81 RAB9A (0.49) MEN1KMT2AALDH1A1
SCHEMBL11127952 0.81 MEN1 (0.37) GDAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11130851 0.80 GDA (0.33) GDAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11267977 0.79 MEN1 (0.34) GDAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11249248 0.79 KMT2A (0.35) MEN1KMT2AALDH1A1PKML3MBTL1

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
US-4332806-A Antitumor and immunosuppresive 4-carbamoyl imidazolium-5-olate derivatives, pharmaceutical composition and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-01 US disclosed
EP-0028936-A2 4-Carbamoylimidazol-5-ol derivatives, their production and pharmaceutical compositions containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-05-20 EP disclosed