SCHEMBL20124326

SCHEMBL20124326

C/C=C\c1c(C)n2c3ccccc3nc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.43
ALDH1A1 P00352 10/20 0.43
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
MAPT P10636 7/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
PKM P14618 4/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 6/20 0.40
GAA P10253 5/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 4/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.38
CDK5 Q00535 1/20 0.38
PAX8 Q06710 1/20 0.38
CDK5R1 Q15078 1/20 0.38
RCE1 Q9Y256 1/20 0.38

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
SCHEMBL21913211 0.83 KDM4E (0.37) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL19054923 0.83 KDM4E (0.41) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21415870 0.83 KDM4E (0.41) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21913548 0.79 MAPT (0.40) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL19233653 0.75 GAA (0.47) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL18083287 0.75 SMN1; SMN2 (0.55) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21913921 0.73 KDM4E (0.38) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL19233667 0.73 KDM4E (0.49) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL20124331 0.73 ADORA1 (0.46) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21101419 0.72 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9AMAPT

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-3318566-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2018-05-09 EP disclosed