SCHEMBL21101416

SCHEMBL21101416

C1=CC2Oc3ccccc3C2C=C1c1ccc2oc3ccccc3c2c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
AHR P35869 2/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL17570826 0.96 PLA2G2A (0.36) PDE10ANPC1MAPTKDM4EMEN1
SCHEMBL13943436 0.94 PLA2G2A (0.35) PDE10ANPC1MAPTKDM4EMEN1
SCHEMBL15976635 0.92 CASP3 (0.34) PDE10ANPC1MAPTKDM4EMEN1
SCHEMBL17570883 0.91 MAPT (0.34) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL16366355 0.88 PLA2G2A (0.33) PDE10A
SCHEMBL16687544 0.88 PLA2G2A (0.33) PDE10A
SCHEMBL26506334 0.86
SCHEMBL16687545 0.86 PLA2G2A (0.33) PDE10A
SCHEMBL16366356 0.84 PDE10A (0.32) PDE10A
SCHEMBL16366621 0.83 PDE10A (0.32) PDE10A

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-2993215-B1 Azabenzimidazo[2,1-a]benzimidazoles for electronic applications IDEMITSU KOSAN CO (JP) 2019-06-19 EP disclosed