SCHEMBL21101411

SCHEMBL21101411

Cc1cccc(-c2ccc3oc4c(c3c2)=C[C@H](C)CC=4)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAP4K4 O95819 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL21101503 0.88 ALDH1A1 (0.32) HPGDMAPTTP53ALDH1A1HSD17B10
SCHEMBL17570822 0.88 PLA2G2A (0.38) HPGDMAPTTP53ALDH1A1CYP3A4
SCHEMBL12799784 0.73 HPGD (0.54) HPGDMAPTTP53ALDH1A1CYP3A4
SCHEMBL21101412 0.72 HPGD (0.40) HPGDMAPTTP53ALDH1A1CYP3A4
SCHEMBL12799772 0.70 MAPT (0.59) HPGDMAPTTP53ALDH1A1CYP3A4
SCHEMBL19521810 0.69 MAPT (0.50) HPGDMAPTTP53ALDH1A1CYP3A4
SCHEMBL9917111 0.68 L3MBTL1 (0.49) HPGDMAPTTP53ALDH1A1CYP3A4
SCHEMBL21429587 0.67 KMT2A (0.36) HPGDMAPTALDH1A1KDM4EMEN1
SCHEMBL9917131 0.66 PLA2G2A (0.49) HPGDMAPTTP53ALDH1A1CYP3A4
SCHEMBL9917139 0.66 L3MBTL1 (0.48) HPGDMAPTTP53ALDH1A1CYP3A4

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