SCHEMBL21180646

SCHEMBL21180646

c1ccc(-c2cc3ccccc3c3cc4oc5ccccc5c4cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 5/20 0.45
RAB9A P51151 4/20 0.45
MAOB P27338 1/20 0.45
AHR P35869 2/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
HPGD P15428 6/20 0.44
MAPT P10636 5/20 0.44
MPI P34949 1/20 0.44
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAOA P21397 1/20 0.41
AKR1B1 P15121 1/20 0.41
MCL1 Q07820 1/20 0.41
CYP11B1 P15538 1/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GPR84 Q9NQS5 2/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL21180572 1.00 KDM4E (0.45) KDM4EALDH1A1RAB9AMAOBAHR
SCHEMBL14725715 0.91 AHR (0.45) KDM4EALDH1A1RAB9AMAOBAHR
SCHEMBL21180650 0.89 MAPT (0.44) KDM4EALDH1A1RAB9AAHRKMT2A
SCHEMBL21180585 0.89 MAPT (0.44) KDM4EALDH1A1RAB9AAHRKMT2A
SCHEMBL21180570 0.88 AHR (0.38) KDM4EALDH1A1RAB9AMAOBAHR
SCHEMBL13820326 0.86 GPR84 (0.39) KDM4EALDH1A1RAB9AMAOBAHR
SCHEMBL16574975 0.84 AHR (0.47) KDM4EALDH1A1RAB9AMAOBAHR
SCHEMBL18846268 0.83 AHR (0.36) KDM4EALDH1A1RAB9AMAOBAHR
SCHEMBL19103089 0.82 AHR (0.41) KDM4EALDH1A1RAB9AMAOBAHR
SCHEMBL25052391 0.82 MAPT (0.42) KDM4EALDH1A1RAB9AAHRKMT2A

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
US-10361380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 US disclosed