SCHEMBL24522022

SCHEMBL24522022

CC1(C)c2cc(N)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.35
ALK Q9UM73 7/20 0.34
NQO1 P15559 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ADRB2 P07550 1/20 0.33
PDK2 Q15119 2/20 0.33
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
PGR P06401 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
SCHEMBL20205330 0.89 KDM4E (0.38) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL24519957 0.88 KDM4E (0.36) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL21794418 0.86 AHR (0.42) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL22389063 0.85 ALK (0.35) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL21790982 0.82 ALDH1A1 (0.37) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL22388853 0.82 ALK (0.33) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL22388866 0.82 ALK (0.33) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL22389077 0.82 ALK (0.35) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL24524171 0.81 KMT2A (0.58) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL20205558 0.81 PGR (0.44) KMT2ARAB9AMAPTMEN1ALDH1A1

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-3844242-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-22 EP disclosed