SCHEMBL9764815

SCHEMBL9764815

CN(C)C(=O)N(O)CCc1ccc2c(c1)oc1c([N+](=O)[O-])cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.43
MAPT P10636 6/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP2K1 Q02750 1/20 0.34
BCHE P06276 1/20 0.34
EIF4A1 P60842 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL10559753 0.77 GPR35 (0.43) GPR35MAPTKMT2AMEN1ALDH1A1
SCHEMBL18862541 0.72 GPR35 (0.47) GPR35MAPTKMT2AMEN1ALDH1A1
SCHEMBL9764897 0.70 ALOX5 (0.48) KMT2AMEN1RAB9AALOX5
SCHEMBL9764839 0.69 ECE1 (0.44) KMT2AMEN1RAB9ANPSR1SMN1; SMN2
SCHEMBL17917509 0.68 KMT2A (0.54) GPR35MAPTKMT2AMEN1ALDH1A1
SCHEMBL9764922 0.67 ALOX5 (0.49) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL9764895 0.66 NPC1 (0.47) KMT2AMEN1RAB9ANPSR1ALOX5
SCHEMBL10573771 0.65 GPR35 (0.40) GPR35MAPTKMT2AMEN1ALDH1A1
SCHEMBL9764821 0.65 KMT2A (0.45) KMT2AMEN1RAB9ANPSR1SMN1; SMN2
SCHEMBL10576367 0.63 MTOR (0.48) GPR35MAPTKMT2AMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed