SCHEMBL7401922

SCHEMBL7401922

O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
RAB9A P51151 4/20 0.44
PKM P14618 2/20 0.44
NPC1 O15118 2/20 0.44
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MITF O75030 1/20 0.43
AGTR1 P30556 1/20 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
SCHEMBL9366960 0.83 GAA (0.47) MAPTSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL9519014 0.82 RAB9A (0.49) MAPTSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL6322393 0.81 SMN1; SMN2 (0.64) MAPTSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL20377184 0.81 SMN1; SMN2 (0.64) MAPTSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL12872528 0.81 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL26374 0.81 GAA (0.65) MAPTSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL3502988 0.80 LMNA (0.60) MAPTSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL7414455 0.80 MEN1 (0.57) MAPTSMN1; SMN2ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL7895043 0.79 GAA (0.62) MAPTSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL450118 0.79 CES2 (0.46) SMN1; SMN2ALDH1A1GAAKDM4EKMT2A

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
EP-0610431-A1 HIV PROTEASE INHIBITORS CONTAINING GUANIDINE SMITHKLINE BEECHAM CORPORATION (US) 1994-08-17 EP disclosed
WO-1993009132-A1 HIV PROTEASE INHIBITORS CONTAINING GUANIDINE SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 WO disclosed