SCHEMBL29973771

SCHEMBL29973771

O=C(Nc1cccnc1)c1ccccc1NCCCn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ KIT P10721 1/20 0.53
▸ BRAF P15056 1/20 0.53
▸ TP53 P04637 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ F10 P00742 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ QPCT Q16769 2/20 0.48
▸ CYP11B2 P19099 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL1525847 1.00 ALDH1A1 (0.54) ALDH1A1KITBRAFTP53MAPK1
SCHEMBL1525952 0.88 ALDH1A1 (0.56) ALDH1A1KITBRAFTP53MAPK1
SCHEMBL1499525 0.87 MEN1 (0.50) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL1525787 0.84 TP53 (0.70) ALDH1A1KITBRAFTP53MAPK1
SCHEMBL1525960 0.83 ALDH1A1 (0.59) ALDH1A1TP53MAPK1KDM4EMEN1
SCHEMBL1525806 0.81 TP53 (0.54) ALDH1A1KITBRAFTP53MAPK1
SCHEMBL1499600 0.79 TSHR (0.56) ALDH1A1KITBRAFMAPK1TSHR
SCHEMBL1499550 0.78 TSHR (0.58) ALDH1A1MAPK1TSHRKDM4EMEN1
SCHEMBL1499660 0.76 KDR (0.53) KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5551707 0.76 SOD1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1QPCT

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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