SCHEMBL31499136

SCHEMBL31499136

c1ccc(-c2ccc(Nc3cccc4c3c3ccccc3n4-c3cccc(-c4ccccc4)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.40
ATM Q13315 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALK Q9UM73 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CDC25B P30305 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL24296625 0.95 KDM4E (0.44) AKR1C3ATMKDM4EL3MBTL1MEN1
SCHEMBL19660771 0.93 ATM (0.47) AKR1C3ATMKDM4EL3MBTL1MEN1
SCHEMBL21037624 0.93 ATM (0.47) AKR1C3ATMKDM4EL3MBTL1MEN1
SCHEMBL15997146 0.92 AKR1C3 (0.40) AKR1C3ATMKDM4EL3MBTL1MEN1
SCHEMBL20904394 0.88 AKR1C3 (0.45) AKR1C3ATMKDM4EL3MBTL1MEN1
SCHEMBL17540402 0.88 KMT2A (0.46) AKR1C3ATMKDM4EL3MBTL1MEN1
SCHEMBL23371596 0.88 ATM (0.40) AKR1C3ATMKDM4EL3MBTL1MEN1
SCHEMBL25787428 0.88 ATM (0.40) AKR1C3ATMKDM4EL3MBTL1MEN1
SCHEMBL24416122 0.87 KDM4E (0.37) AKR1C3ATMKDM4EL3MBTL1MEN1
SCHEMBL23423715 0.86 L3MBTL1 (0.52) ATMKDM4EL3MBTL1MEN1GLA

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
CN-119431414-A Heterocyclic compound and organic light-emitting device including the same 三星电子株式会社 2025-02-14 CN disclosed