SCHEMBL6591013

SCHEMBL6591013

O=C(O)c1cc(Cl)c2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
TDP1 Q9NUW8 5/20 0.54
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.49
PKM P14618 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
GPR35 Q9HC97 2/20 0.49
HSP90AA1 P07900 1/20 0.43
OPRK1 P41145 1/20 0.43
APEX1 P27695 1/20 0.42
PDE10A Q9Y233 1/20 0.41
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6591021 1.00 MEN1 (0.54) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6590529 0.84 KMT2A (0.48) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6080952 0.84 KMT2A (0.48) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL4971979 0.84 APP (0.50) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6594275 0.81 MEN1 (0.50) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL6594282 0.81 MEN1 (0.50) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL6080455 0.80 HCAR3 (0.47) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL28323574 0.80 GPR35 (0.42) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL9069976 0.78 ALDH1A1 (0.57) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL28423586 0.77 MEN1 (0.40) MEN1KMT2ATDP1ALDH1A1KDM4E

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed