SCHEMBL29973704

SCHEMBL29973704

COc1ccc(Nc2ccccc2C(=O)NCCCn2ccnc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.79
▸ MAPK1 P28482 1/20 0.79
▸ ALDH1A1 P00352 3/20 0.67
▸ MAPT P10636 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ USP2 O75604 1/20 0.62
▸ HSD17B10 Q99714 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ GAA P10253 1/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MAOB P27338 1/20 0.59
▸ QPCT Q16769 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.58

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
SCHEMBL1525818 1.00 TP53 (0.79) TP53MAPK1ALDH1A1MAPTTSHR
SCHEMBL1525857 0.91 TP53 (0.68) TP53MAPK1ALDH1A1MAPTTSHR
SCHEMBL29973069 0.91 TP53 (0.68) TP53MAPK1ALDH1A1MAPTTSHR
SCHEMBL1526009 0.87 TP53 (0.61) TP53MAPK1ALDH1A1MAPTTSHR
SCHEMBL1525994 0.86 TP53 (0.59) TP53MAPK1ALDH1A1HSD17B10HPGD
SCHEMBL11015706 0.86 MAPK1 (0.73) TP53MAPK1ALDH1A1MAPTTSHR
SCHEMBL12767077 0.84 ALDH1A1 (0.89) TP53MAPK1ALDH1A1MAPTTSHR
SCHEMBL1525787 0.84 TP53 (0.70) TP53MAPK1ALDH1A1MAPTTSHR
SCHEMBL11010135 0.84 MEN1 (0.69) TP53MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL1525960 0.84 ALDH1A1 (0.59) TP53MAPK1ALDH1A1HSD17B10HPGD

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
EP-3536691-B1 CHEMICAL MOLECULES THAT INHIBIT THE SPLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NAT RECH SCIENT (FR) 2022-10-05 — — EP disclosed
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