SCHEMBL7545823

SCHEMBL7545823

COC(=O)C#Cc1c(O)nc2ccccc2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 6/20 0.42
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 4/20 0.39
GLA P06280 2/20 0.39
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
PLIN1 O60240 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
PLIN5 Q00G26 1/20 0.38
MCL1 Q07820 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38

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
SCHEMBL7548608 0.88 KDM4E (0.45) PDE10AKMT2AMEN1KDM4ETSHR
SCHEMBL7549915 0.78 PDE10A (0.41) PDE10AKMT2AMEN1KDM4EHTT
SCHEMBL7550340 0.77 PDE10A (0.41) PDE10AKMT2AMEN1KDM4EHTT
SCHEMBL7548798 0.75 SMN1; SMN2 (0.42) PDE10AKMT2AMEN1KDM4ETSHR
SCHEMBL7550385 0.74 KDM1A (0.39) PDE10AKMT2AMEN1KDM4EHTT
SCHEMBL7915032 0.74 ALDH1A1 (0.56) PDE10AKMT2AMEN1KDM4EHTT
SCHEMBL13467803 0.69 GPR3 (0.48) PDE10AKMT2AMEN1KDM4EHTT
SCHEMBL14106730 0.69 PDE10A (0.72) PDE10AKMT2AMEN1HTTTSHR
SCHEMBL26617556 0.69 PDE10A (0.62) PDE10AKMT2AMEN1KDM4EHTT
SCHEMBL21878637 0.69 MEN1 (0.75) PDE10AKMT2AMEN1KDM4EHTT

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