SCHEMBL9879277

SCHEMBL9879277

CN([C]=O)c1cccc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
MMP2 P08253 2/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MMP9 P14780 1/20 0.45
NFKB1 P19838 1/20 0.45
MMP8 P22894 1/20 0.45
CCR1 P32246 1/20 0.45

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
SCHEMBL869102 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL27976332 0.76 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7047557 0.75 KDM4E (0.58) KDM4EMAPTTDP1MMP2TSHR
SCHEMBL17199419 0.75 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL27836650 0.75 LMNA (0.52) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL22073007 0.75 MMP2 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL22072300 0.75 LMNA (0.49) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL15451691 0.73 TSHR (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL15381492 0.72 LMNA (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL27742273 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MAPT

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
WO-1991013874-A1 DERIVATIVES OF GLYCINAMIDE, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1991-09-19 WO disclosed