SCHEMBL21101503

SCHEMBL21101503

Cc1ccc(-c2ccc3oc4c(c3c2)=C[C@H](C)CC=4)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
MAOB P27338 3/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
CDK9 P50750 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17570822 0.89 PLA2G2A (0.38) ALDH1A1MAPTKDM4ETP53HPGD
SCHEMBL21101411 0.88 HPGD (0.39) ALDH1A1MAPTMAOBKDM4ENPC1
SCHEMBL21101592 0.70 CLK1 (0.32)
SCHEMBL10118468 0.69 MAPT (0.38) ALDH1A1MAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL21913083 0.68 MAPT (0.34) ALDH1A1MAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL27430997 0.67 CDK9 (0.46) ALDH1A1MAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL17993380 0.67 KDM4E (0.50) ALDH1A1MAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL21429587 0.67 KMT2A (0.36) ALDH1A1MAPTKDM4ENPC1HPGD
SCHEMBL12203228 0.65 MAPT (0.49) ALDH1A1MAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL17570858 0.65 PLA2G2A (0.44) MAPTCSNK2A2CSNK2BTNKSPARP1

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