SCHEMBL18698138

SCHEMBL18698138

c1ccc(-n2c3c(-c4ccc5[nH]c6ccccc6c5c4)cccc3n3c4ccccc4nc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.34
MGAM O43451 3/20 0.34
SI P14410 3/20 0.34
MGAM2 Q2M2H8 3/20 0.34
TOP2A P11388 1/20 0.34
FLT3 P36888 2/20 0.34
BMX P51813 1/20 0.34
HPGD P15428 5/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
NQO2 P16083 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL23652407 0.90 MGAM (0.34) GAAMGAMSIMGAM2TOP2A
SCHEMBL18698129 0.84 HPGD (0.37) GAAMGAMSIMGAM2TOP2A
SCHEMBL18687112 0.84 HPGD (0.37) GAAMGAMSIMGAM2TOP2A
SCHEMBL20448105 0.82 TOP2A (0.36) GAATOP2AFLT3BMXHPGD
SCHEMBL262477 0.81 KDM4E (0.42) GAAMGAMSIMGAM2HPGD
SCHEMBL23652463 0.81 ADORA2B (0.34) GAAMGAMSIMGAM2HPGD
SCHEMBL26572062 0.81 MAPK1 (0.43) GAAHPGDKDM4EALDH1A1HTT
SCHEMBL23652412 0.81 ADORA2B (0.35) GAAMGAMSIMGAM2TOP2A
SCHEMBL18687133 0.81 ADORA2B (0.35) GAAMGAMSIMGAM2TOP2A
SCHEMBL20448092 0.80 HPGD (0.34) GAAMGAMSIMGAM2FLT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150604-B1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLYLYL GROUPS, CARBAZOLYL GROUPS, BENZOFURANE GROUPS OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO (JP) 2021-07-14 EP disclosed
EP-3150604-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLYL GROUPS, CARBAZOLYL GROUPS, BENZOFURANE GROUPS OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2017-04-05 EP disclosed