SCHEMBL20860348

SCHEMBL20860348

C1=Cc2c(cccc2-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL24315258 0.84 BACE1 (0.33)
SCHEMBL20652929 0.84 KDM4E (0.32) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL24260046 0.83 ENPP1 (0.38) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL25679908 0.82 MEN1 (0.36) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20083049 0.82 HDAC8 (0.38) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL25896724 0.82 CA12 (0.36) HDAC8HDAC6ENPP3ENPP1CA12
SCHEMBL24314418 0.82 KDM4E (0.33) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL26047037 0.81 BACE1 (0.32) KDM4EALDH1A1SMN1; SMN2HSD17B10TP53
SCHEMBL14145175 0.81 CA12 (0.38) HDAC8HDAC6ENPP3ENPP1CA12
SCHEMBL25445991 0.81 ENPP1 (0.39) HDAC8HDAC6ENPP3ENPP1CA12

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-4016656-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2022-06-22 EP disclosed
EP-3395823-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-02-26 EP disclosed
EP-3461830-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2019-04-03 EP disclosed