SCHEMBL7219839

SCHEMBL7219839

O=C1NOCC[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 3/20 0.33
DDB1 Q16531 3/20 0.33
CRBN Q96SW2 3/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HRH1 P35367 1/20 0.33
SCN1A P35498 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
KCNN4 O15554 2/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 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
SCHEMBL7218670 0.78 MEN1 (0.43) MEN1KMT2ACYP1A2
SCHEMBL7627312 0.73 NAAA (0.40) DUTKCNN4
SCHEMBL7627317 0.73 NAAA (0.40) DUTKCNN4
SCHEMBL6067809 0.73 ALDH1A1 (0.48) CYP2D6MEN1KMT2AKDM4ENPC1
SCHEMBL7463203 0.73 ALDH1A1 (0.48) CYP2D6MEN1KMT2AKDM4ENPC1
SCHEMBL5898896 0.73 DDB1 (0.59) DDB1CRBNMEN1KMT2AGAA
SCHEMBL3460233 0.72 ALDH1A1 (0.53) KDM4ENPC1RAB9A
SCHEMBL7804797 0.72 ALDH1A1 (0.53) KDM4ENPC1RAB9A
SCHEMBL5401841 0.72 ALDH1A1 (0.53) KDM4ENPC1RAB9A
SCHEMBL9811435 0.71 KCNN4 (0.34) DUTDDB1CRBNKCNN4

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-6660734-B1 Oxazinones having antibacterial activity SIMON FRASER UNIVERSITY (CA) 2003-12-09 US disclosed
US-6399600-B1 ANTIBIOTIC RESISTANT BATERIA INFECTIONS SIMON FRASER UNIVERSITY (CA) 2002-06-04 US disclosed