SCHEMBL6961318

SCHEMBL6961318

O=C(Oc1ccc([N+](=O)[O-])cc1)C1=CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 5/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX5 P09917 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HGFAC Q04756 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL27930565 0.81 RAB9A (0.54) ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL527544 0.72 KMT2A (0.71) ALDH1A1GAAKDM4EKMT2APKM
SCHEMBL11021047 0.71 MAPT (0.62) ALDH1A1GAAKDM4EKMT2APKM
SCHEMBL30439305 0.70 BCL9 (0.44) ALDH1A1GAAKDM4EKMT2APKM
SCHEMBL542043 0.70 KMT2A (0.84) ALDH1A1GAAKMT2APKMMAPT
SCHEMBL4951809 0.70 KMT2A (0.84) ALDH1A1GAAKMT2APKMMAPT
SCHEMBL18434657 0.70 KMT2A (0.84) ALDH1A1GAAKMT2APKMMAPT
SCHEMBL10636579 0.70 KMT2A (0.84) ALDH1A1GAAKMT2APKMMAPT
SCHEMBL4452103 0.70 ALDH1A1 (0.53) ALDH1A1GAAKDM4EKMT2APKM
SCHEMBL31597009 0.70 MGLL (0.60) KMT2ARAB9AHPGDMGLL

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-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed