SCHEMBL16735640

SCHEMBL16735640

O=C(c1cc2ncccc2cc1O)N1CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
PDK1 Q15118 6/20 0.42
PDK2 Q15119 6/20 0.42
PDK3 Q15120 6/20 0.42
PDK4 Q16654 6/20 0.42
DRD4 P21917 1/20 0.41
WDR5 P61964 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
BAZ1A Q9NRL2 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16735676 0.92 MAPT (0.48) HTR2CMAPTNPC1HTTLMNA
SCHEMBL16735646 0.84 PDK1 (0.53) HTR2CNPC1HTTLMNAPDK1
SCHEMBL16735643 0.83 LMNA (0.53) MAPTNPC1LMNAPDK1PDK2
SCHEMBL2143863 0.82 HTR2C (0.51) HTR2CMAPTNPC1HTTLMNA
Quinoline SCHEMBL28311833 0.81 HTR2C (0.52) HTR2CMAPTNPC1HTTLMNA
SCHEMBL16735601 0.78 PDK1 (0.62) PDK1PDK2PDK3PDK4
SCHEMBL16735666 0.77 LMNA (0.53) MAPTHTTLMNAPDK1PDK2
SCHEMBL9092613 0.77 HTR2C (0.56) HTR2CMAPTNPC1HTTLMNA
SCHEMBL2144207 0.74 NPC1 (0.48) HTR2CMAPTNPC1HTTLMNA
SCHEMBL16735572 0.72 PDK1 (0.51) LMNAPDK1PDK2PDK3PDK4

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
EP-2519505-B1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM SA (LU) 2015-05-27 EP claimed