SCHEMBL21382889

SCHEMBL21382889

c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3cnc4cccc5c4c3-c3ccccc3S5)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.41
KDM4E B2RXH2 6/20 0.41
LMNA P02545 4/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.36
ADORA1 P30542 2/20 0.35
THRB P10828 1/20 0.35
ADORA2A P29274 1/20 0.35
ATM Q13315 1/20 0.33
TLR9 Q9NR96 1/20 0.33
MET P08581 1/20 0.33

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
SCHEMBL21382912 0.84 SMN1; SMN2 (0.36) LMNAKMT2AMEN1AKT1AKT2
SCHEMBL21385114 0.76 LIPG (0.43)
SCHEMBL21383197 0.74 HPGD (0.34)
SCHEMBL24689392 0.73 KDM4E (0.64) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL21410350 0.69 L3MBTL1 (0.41) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL13950894 0.68 KDM4E (0.78) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL6314777 0.68 L3MBTL1 (0.61) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL21385059 0.68 CDK2 (0.33) AKT1AKT2
SCHEMBL13614904 0.67 LMNA (0.51) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL14335487 0.67 TOP2A (0.44) L3MBTL1KDM4ETDP1KMT2AALDH1A1

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
WO-2019182360-A1 COMPOUND, ORGANIC LIGHT-EMITTING DEVICE AND DISPLAY DEVICE 에스케이머티리얼즈 주식회사 2019-09-26 WO disclosed