SCHEMBL7550385

SCHEMBL7550385

Cc1ccc(C#Cc2c(O)nc3ccccc3c2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ADORA2A P29274 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ERN1 O75460 1/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GRM5 P41594 2/20 0.37
CYP1A2 P05177 2/20 0.36
HTT P42858 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MCL1 Q07820 1/20 0.36
GBA1 P04062 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7549915 0.92 PDE10A (0.41) PDE10AALDH1A1ADORA2AKDM4EERN1
SCHEMBL7550340 0.79 PDE10A (0.41) PDE10AALDH1A1KDM4EERN1GAA
SCHEMBL7915032 0.76 ALDH1A1 (0.56) PDE10AALDH1A1ADORA2AKDM4EERN1
SCHEMBL7545823 0.74 PDE10A (0.47) PDE10AALDH1A1KDM4EMEN1KMT2A
SCHEMBL7548798 0.74 SMN1; SMN2 (0.42) PDE10AALDH1A1KDM4EGAAMEN1
SCHEMBL13467803 0.71 GPR3 (0.48) PDE10AALDH1A1KDM4EERN1MEN1
SCHEMBL7548608 0.71 KDM4E (0.45) PDE10AALDH1A1KDM4EMEN1KMT2A
SCHEMBL2831992 0.69 APP (0.67) ALDH1A1KDM4EMEN1KMT2AGRM5
SCHEMBL15014207 0.69 APP (0.67) ALDH1A1KDM4EMEN1KMT2AGRM5
SCHEMBL10091202 0.69 APP (0.67) ALDH1A1KDM4EMEN1KMT2AGRM5

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-2002046163-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTI-EPILEPTICS WACKERNAGEL MICHAEL (DE) 2002-06-13 WO claimed