SCHEMBL31440468

SCHEMBL31440468

c1ccc(Nc2ccccc2-c2cccc3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
HPGD P15428 2/20 0.71
ATM Q13315 2/20 0.71
CDC25B P30305 2/20 0.71
HSD17B10 Q99714 2/20 0.71
TP53 P04637 1/20 0.71
CYP3A4 P08684 1/20 0.71
ALOX15 P16050 1/20 0.71
TSHR P16473 1/20 0.71
MAPT P10636 6/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
KDM4E B2RXH2 5/20 0.61
GAA P10253 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
GLA P06280 1/20 0.61
RECQL P46063 1/20 0.61
RAB9A P51151 3/20 0.51
FADS1 O60427 1/20 0.50
LMNA P02545 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
SCHEMBL13367372 1.00 ALDH1A1 (0.71) ALDH1A1HPGDATMCDC25BHSD17B10
SCHEMBL4579833 0.94 ALDH1A1 (0.62) ALDH1A1HPGDATMCDC25BHSD17B10
SCHEMBL4054971 0.90 ALDH1A1 (0.58) ALDH1A1HPGDATMCDC25BHSD17B10
SCHEMBL29772965 0.90 ALDH1A1 (0.58) ALDH1A1HPGDATMCDC25BHSD17B10
SCHEMBL347485 0.89 ALDH1A1 (0.56) ALDH1A1HPGDATMCDC25BHSD17B10
SCHEMBL4058291 0.89 ALDH1A1 (0.57) ALDH1A1HPGDATMCDC25BHSD17B10
SCHEMBL30332497 0.88 ALDH1A1 (0.52) ALDH1A1HPGDATMCDC25BHSD17B10
SCHEMBL28937735 0.88 ALDH1A1 (0.52) ALDH1A1HPGDATMCDC25BHSD17B10
SCHEMBL24910923 0.87 CDC25B (0.55) ALDH1A1HPGDATMCDC25BHSD17B10
SCHEMBL29830213 0.87 CDC25B (0.55) ALDH1A1HPGDATMCDC25BHSD17B10

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-113717057-B Amine compound and organic light emitting device including the same 三星显示有限公司 2025-04-01 CN disclosed