SCHEMBL21577593

SCHEMBL21577593

c1ccc(-n2c3cc4c(cc3c3ccc5ccccc5c32)c2ccccc2n4-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FLT3 P36888 2/20 0.32
BMX P51813 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30

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
SCHEMBL21168894 0.96 KDM4E (0.36) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21168858 0.92 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21168842 0.92 KDM4E (0.35) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17990588 0.92 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17408341 0.90 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21168823 0.89 KDM4E (0.35) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21168838 0.89 KDM4E (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21168802 0.89 KDM4E (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17990590 0.89 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17408349 0.89 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMAPTNPSR1

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
US-20210328152-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-10-21 US disclosed
US-20200058882-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-02-20 US disclosed
US-20190355912-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-11-21 US disclosed