SCHEMBL4671340

SCHEMBL4671340

O=C(O)Oc1ccc(COc2ccc(-c3ccccc3[N+](=O)[O-])cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
MAOB P27338 1/20 0.41
PTGES O14684 1/20 0.41
FFAR1 O14842 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
ADAMTS4 O75173 1/20 0.38
KDM4A O75164 1/20 0.37
MAPT P10636 3/20 0.37
EIF4E P06730 2/20 0.36
AR P10275 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
POLB P06746 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL3566374 0.84 NR4A2 (0.49) TDP1ALDH1A1HRH2HRH1MAOB
SCHEMBL4674819 0.82 PTGER4 (0.47) FFAR1NPC1RAB9AMAPT
SCHEMBL4671589 0.76 EIF4E (0.42) TDP1ALDH1A1HRH2HRH1MAOB
SCHEMBL4675231 0.75 LMNA (0.48) TDP1ALDH1A1HRH2HRH1MAOB
SCHEMBL3562225 0.74 MAOB (0.54) TDP1ALDH1A1HRH2HRH1MAOB
SCHEMBL3569402 0.73 POLB (0.67) TDP1ALDH1A1PTGESMEN1KMT2A
SCHEMBL3557707 0.71 MRGPRX4 (0.57) RAB9A
SCHEMBL3555525 0.71 MMP13 (0.46) TDP1ALDH1A1HRH2HRH1NPC1
SCHEMBL3562475 0.70 MRGPRX4 (0.58) TDP1ALDH1A1HRH2HRH1MAOB
SCHEMBL3335019 0.68 ALDH1A1 (0.69) TDP1ALDH1A1HRH2HRH1NPC1

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
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed