SCHEMBL29694385

SCHEMBL29694385

Nc1cccc2ccc(Cc3ccccn3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ASIC3 Q9UHC3 1/20 0.44
HRH1 P35367 1/20 0.40
MBOAT4 Q96T53 1/20 0.39
PNP P00491 1/20 0.39
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
GMNN O75496 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL16603426 0.81 ALOX12 (0.52) PDE10AL3MBTL1KDM4ETP53HTT
SCHEMBL580640 0.77 L3MBTL1 (0.52) L3MBTL1ASIC3HRH1KDM4ETP53
SCHEMBL1568267 0.75 SMN1; SMN2 (0.57) PDE10AL3MBTL1ASIC3KDM4ETP53
SCHEMBL27835947 0.74 PDE10A (0.44) PDE10AKDM4ECYP3A4MAPTTSHR
SCHEMBL28421865 0.73 PDE10A (0.51) PDE10A
SCHEMBL41191 0.73 L3MBTL1 (0.59) L3MBTL1ASIC3HRH1SMN1; SMN2LMNA
SCHEMBL29830938 0.73 L3MBTL1 (0.59) L3MBTL1ASIC3HRH1SMN1; SMN2LMNA
SCHEMBL26053800 0.73 PARP1 (0.58) PDE10AKDM4ECCR1TDP1
SCHEMBL8588461 0.73 CCR1 (0.63) PDE10AKDM4ECYP3A4MAPTTSHR
SCHEMBL28108406 0.73 PDE10A (0.47) PDE10APNPLMNACYP3A4CYP2D6

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-2022118054-A1 RED FLUORESCENT SENSOR COMPOUNDS FOR THE DETECTION OF METAL IONS FEMTONICS KFT. (HU) 2022-06-09 WO disclosed