SCHEMBL18698121

SCHEMBL18698121

Cc1ccc2nc3n(C)c4ccccc4n3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NQO2 P16083 1/20 0.42
ATM Q13315 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
EGFR P00533 1/20 0.41
IKBKB O14920 2/20 0.40
ACSS2 Q9NR19 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
GFER P55789 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL18698073 0.90 IKBKB (0.42) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL16920049 0.89 KMT2A (0.47) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL25634958 0.87 ACSS2 (0.47) ADORA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12799837 0.83 ATM (0.53) ADORA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18698122 0.83 ALDH1A1 (0.45) ADORA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23636180 0.82 RAB9A (0.39) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL21965199 0.81 ADORA1 (0.44) ADORA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17483464 0.80 MAPK1 (0.47) ADORA1NPC1RAB9AMAPTL3MBTL1
SCHEMBL25490735 0.80 ACSS2 (0.39) ADORA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL26293089 0.80 KDM4E (0.43) NPC1RAB9AMAPTNQO2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356368-B1 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 (JP) 2021-07-21 EP disclosed
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