SCHEMBL29974206

SCHEMBL29974206

O=C(Nc1ccccn1)c1cccnc1NCCCn1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 3/20 0.52
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ KIT P10721 1/20 0.47
▸ BRAF P15056 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45

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
SCHEMBL1525957 1.00 SOD1 (0.52) SOD1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL1499660 0.86 KDR (0.53) SOD1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL1499525 0.84 MEN1 (0.50) SOD1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL1499625 0.80 MAPT (0.66) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL29973775 0.80 KDR (0.64) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL1499580 0.80 KDR (0.64) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL29973464 0.80 MAPT (0.66) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL1525996 0.78 MEN1 (0.48) MEN1KMT2AKDM4EL3MBTL1HSD17B10
SCHEMBL1525990 0.75 MEN1 (0.50) MEN1KMT2AKDM4EL3MBTL1HSD17B10
SCHEMBL11427078 0.74 SMN1; SMN2 (0.56) MEN1KMT2AKDM4EL3MBTL1HSD17B10

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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