SCHEMBL29638465

SCHEMBL29638465

c1ccc(-n2c3ccccc3c3ccc(Nc4cccc5ccccc45)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.53
ATM Q13315 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FADS1 O60427 1/20 0.49
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL17056808 1.00 CDC25B (0.53) CDC25BATMALDH1A1TP53CYP3A4
SCHEMBL29907968 0.92 CDC25B (0.53) CDC25BATMALDH1A1TP53CYP3A4
SCHEMBL296012 0.92 CDC25B (0.53) CDC25BATMALDH1A1TP53CYP3A4
SCHEMBL9912983 0.92 CDC25B (0.56) CDC25BATMALDH1A1TP53CYP3A4
SCHEMBL18020025 0.90 KDM4E (0.58) CDC25BATMALDH1A1TP53CYP3A4
SCHEMBL19008348 0.90 ATM (0.51) CDC25BATMALDH1A1TP53CYP3A4
SCHEMBL19213280 0.87 CDC25B (0.57) CDC25BATMALDH1A1TP53CYP3A4
SCHEMBL13291245 0.87 KDM4E (0.45) CDC25BATMALDH1A1TP53CYP3A4
SCHEMBL23333600 0.87 CDC25B (0.61) CDC25BATMALDH1A1TP53CYP3A4
SCHEMBL26540711 0.86 KDM4E (0.50) CDC25BATMALDH1A1TP53CYP3A4

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-114591350-A Compound containing spiro heterocyclic carbazole structure and application thereof 北京燕化集联光电技术有限公司 2022-06-07 CN disclosed