SCHEMBL30724563

SCHEMBL30724563

c1ccc(-c2ccccc2Nc2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CDC25B P30305 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
ATM Q13315 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46

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
SCHEMBL20317132 1.00 ALDH1A1 (0.56) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL30041541 0.98 ALDH1A1 (0.58) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL18655635 0.98 ALDH1A1 (0.58) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL21168453 0.97 ALDH1A1 (0.56) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL29772965 0.92 ALDH1A1 (0.58) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL21905509 0.92 CDC25B (0.53) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL4054971 0.92 ALDH1A1 (0.58) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL30035585 0.92 CDC25B (0.53) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL24910923 0.90 CDC25B (0.55) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL25087793 0.90 HSD17B10 (0.65) ALDH1A1CDC25BTP53CYP3A4HPGD

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-2024014660-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-01-18 WO disclosed