SCHEMBL24155702

SCHEMBL24155702

c1ccc(-c2cccc3c(Nc4cccc5ccccc45)cccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP3A4 P08684 2/20 0.60
HSD17B10 Q99714 2/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
ATM Q13315 1/20 0.60
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
CCR4 P51679 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
KDM4E B2RXH2 3/20 0.50
RECQL P46063 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL12476377 0.94 HSD17B10 (0.58) CDC25BALDH1A1CYP3A4HSD17B10TP53
SCHEMBL30353953 0.92 CDC25B (0.60) CDC25BALDH1A1CYP3A4HSD17B10TP53
SCHEMBL2793972 0.92 CDC25B (0.60) CDC25BALDH1A1CYP3A4HSD17B10TP53
SCHEMBL20317136 0.89 CDC25B (0.56) CDC25BALDH1A1CYP3A4HSD17B10TP53
SCHEMBL30021230 0.87 ALDH1A1 (0.58) CDC25BALDH1A1CYP3A4HSD17B10TP53
SCHEMBL24550973 0.86 ALDH1A1 (0.49) CDC25BALDH1A1CYP3A4HSD17B10TP53
SCHEMBL26557613 0.84 ALDH1A1 (0.51) CDC25BALDH1A1CYP3A4HSD17B10TP53
SCHEMBL25911740 0.84 ALDH1A1 (0.70) CDC25BALDH1A1CYP3A4HSD17B10TP53
SCHEMBL49213 0.83 HSD17B10 (0.74) CDC25BALDH1A1CYP3A4HSD17B10TP53
SCHEMBL18655632 0.83 CDC25B (0.51) CDC25BALDH1A1CYP3A4HSD17B10TP53

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-2021261851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-12-30 WO disclosed