SCHEMBL8528438

SCHEMBL8528438

CCC(C)Nc1ccc(NC(C)CC)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ POLB P06746 3/20 0.45
▸ BLM P54132 2/20 0.45
▸ NSD2 O96028 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ TOP2B Q02880 1/20 0.44
▸ TDP1 Q9NUW8 5/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ THRB P10828 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 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
SCHEMBL8639276 0.91 MEN1 (0.47) MEN1KMT2APOLBBLMNSD2
SCHEMBL16726920 0.91 MEN1 (0.56) MEN1KMT2APOLBBLMNSD2
SCHEMBL8639310 0.88 MAPT (0.60) MEN1KMT2APOLBBLMNSD2
SCHEMBL13070793 0.86 SMN1; SMN2 (0.45) MEN1KMT2APOLBBLMNSD2
SCHEMBL8635481 0.84 MEN1 (0.37) MEN1KMT2APOLBBLMNSD2
SCHEMBL22946139 0.83 MEN1 (0.34) MEN1KMT2APOLBBLMNSD2
SCHEMBL8635478 0.82 LMNA (0.43) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL10809844 0.82 GNG2 (0.54) ALDH1A1CYP3A4ALOX15HIF1AHSD17B10
SCHEMBL92040 0.81 MEN1 (0.52) MEN1KMT2APOLBBLMNSD2
SCHEMBL29351322 0.81 MEN1 (0.52) MEN1KMT2APOLBBLMNSD2

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
US-5783518-A Dye diffusion thermal transfer printing ZENECA LIMITED (GB) 1998-07-21 — — US claimed
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