SCHEMBL17348525

SCHEMBL17348525

O=Cc1cc([N+](=O)[O-])cc2cc([N+](=O)[O-])cc(O)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.57
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ GPR35 Q9HC97 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TTR P02766 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HTT P42858 2/20 0.43

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
SCHEMBL17348583 0.85 VCAM1 (0.49) ERN1MAPTKDM4ETDP1GPR35
SCHEMBL4756022 0.80 ERN1 (0.63) ERN1MAPTKDM4ETDP1GPR35
SCHEMBL16838207 0.79 ERN1 (0.61) ERN1MAPTKDM4ETDP1GPR35
SCHEMBL12492120 0.77 ERN1 (0.69) ERN1MAPTKDM4ETDP1GPR35
SCHEMBL2771759 0.77 ERN1 (0.59) ERN1MAPTKDM4ETDP1GPR35
SCHEMBL17348557 0.76 GPR35 (0.54) ERN1MAPTKDM4ETDP1GPR35
SCHEMBL918368 0.73 ERN1 (0.73) ERN1MAPTGPR35ALDH1A1TTR
SCHEMBL30135697 0.73 ERN1 (1.00) ERN1MAPTKDM4ETDP1GPR35
SCHEMBL79298 0.73 ERN1 (1.00) ERN1MAPTKDM4ETDP1GPR35
SCHEMBL17348559 0.72 ERN1 (0.42) ERN1MAPTKDM4ETDP1GPR35

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-2015191640-A2 BICYCLIC XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE (US) 2015-12-17 — — WO disclosed
Send feedback