SCHEMBL28613252

SCHEMBL28613252

Cc1cccc(Nc2cccc3cc4ccccc4cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
FADS1 O60427 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CDC25B P30305 2/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 5/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
GLA P06280 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
SCHEMBL30074722 0.86 CDC25B (0.67) NPSR1FADS1ALDH1A1CDC25BTP53
SCHEMBL2582572 0.86 CDC25B (0.67) NPSR1FADS1ALDH1A1CDC25BTP53
SCHEMBL18134974 0.85 RAB9A (0.53) NPSR1FADS1ALDH1A1CDC25BTP53
SCHEMBL7527181 0.84 NPSR1 (0.64) NPSR1CYP3A4MAPTSMN1; SMN2NFKB1
SCHEMBL2848293 0.84 ALDH1A1 (0.68) NPSR1FADS1ALDH1A1CDC25BTP53
SCHEMBL27625922 0.82 ALDH1A1 (0.66) NPSR1FADS1ALDH1A1CDC25BTP53
SCHEMBL1922073 0.82 NPSR1 (0.72) NPSR1ALDH1A1CYP3A4HSD17B10MAPT
SCHEMBL19763112 0.81 RAB9A (0.49) NPSR1FADS1ALDH1A1CDC25BTP53
SCHEMBL3403976 0.80 ALDH1A1 (0.73) FADS1ALDH1A1CDC25BTP53CYP3A4
SCHEMBL31346513 0.80 ALDH1A1 (0.58) FADS1ALDH1A1CDC25BTP53CYP3A4

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-113270554-A Organic light emitting display device 三星显示有限公司 2021-08-17 CN disclosed