SCHEMBL21101414

SCHEMBL21101414

Cc1ccc2c(c1)C1C=C(c3ccc4oc5ccc(C)cc5c4c3)C=CC1O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.32
ATM Q13315 1/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
CSNK2A1 P68400 2/20 0.32
KCNA5 P22460 1/20 0.30
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 3/20 0.30
ALDH1A1 P00352 3/20 0.30
TP53 P04637 3/20 0.30
CYP3A4 P08684 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21101504 0.94 MAPT (0.34) MAPTATMKDM4EALDH1A1TP53
SCHEMBL17570883 0.91 MAPT (0.34) MAPTATMCSNK2A2CSNK2BCSNK2A1
SCHEMBL12204684 0.81
SCHEMBL21101416 0.81 PDE10A (0.35) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL12126481 0.80 PLA2G2A (0.32) KDM4EMEN1KMT2A
SCHEMBL21913221 0.79 TTR (0.31)
SCHEMBL21101566 0.79 TP53 (0.32) TP53
SCHEMBL21102046 0.78 BCHE (0.37) MAPTKDM4EALDH1A1CYP3A4HPGD
SCHEMBL12204682 0.78 PGR (0.34)
SCHEMBL17570826 0.77 PLA2G2A (0.36) MAPTKDM4EALDH1A1HPGDNPC1

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