SCHEMBL21577560

SCHEMBL21577560

c1ccc(-c2cc3c(c4ccccc24)c2cc4c5ccccc5n(-c5cc(-c6ccc7ccccc7c6)c6ccccc6n5)c4cc2n3-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ACACA Q13085 4/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 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
SCHEMBL22868909 0.88 EGFR (0.41) EGFRKDM4EALDH1A1HPGDTDP1
SCHEMBL19271587 0.85 KDM4E (0.42) EGFRKDM4EALDH1A1HPGDTDP1
SCHEMBL21515374 0.85 KDM4E (0.35) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL21515327 0.85 TUBB4A (0.34) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL16475795 0.84 KDM4E (0.41) EGFRKDM4EALDH1A1HPGDTDP1
SCHEMBL12691041 0.82 EGFR (0.45) EGFRKDM4EALDH1A1HPGDTDP1
SCHEMBL22186444 0.82 L3MBTL1 (0.53) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL24752968 0.81 EGFR (0.38) EGFRKDM4EALDH1A1HPGDTDP1
SCHEMBL14233338 0.81 KDM4E (0.40) EGFRKDM4EALDH1A1HPGDTDP1
SCHEMBL16870781 0.81 L3MBTL1 (0.40) KDM4EALDH1A1HPGDTDP1NPSR1

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-20190355912-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-11-21 US disclosed