SCHEMBL26542001

SCHEMBL26542001

Cc1ccc(-n2c3ccccc3c3ccc(-c4ccc(Nc5cccc6ccccc56)cc4)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.41
MAPKAPK2 P49137 2/20 0.39
FADS1 O60427 1/20 0.39
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MEN1 O00255 1/20 0.38
ACP1 P24666 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL19008348 0.91 ATM (0.51) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL23423494 0.88 CDC25B (0.56) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL11887571 0.88 CDC25B (0.56) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL23333600 0.84 CDC25B (0.61) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL14029447 0.83 ATM (0.51) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL23423859 0.83 ATM (0.51) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL23423493 0.83 ATM (0.51) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL9912983 0.83 CDC25B (0.56) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL15178728 0.83 KDM4E (0.50) ALDH1A1HPGDATMRAB9AKMT2A
SCHEMBL10109752 0.81 HPGD (0.48) ALDH1A1TP53HPGDATMRAB9A

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-2023185078-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2023-10-05 WO disclosed