SCHEMBL29973069

SCHEMBL29973069

COc1cccc(Nc2ccccc2C(=O)NCCCn2ccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ MAPT P10636 2/20 0.67
▸ QPCT Q16769 1/20 0.63
▸ LMNA P02545 2/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ NAMPT P43490 1/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALOX15 P16050 1/20 0.56

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
SCHEMBL1525857 1.00 TP53 (0.68) TP53MAPK1MAPTQPCTLMNA
SCHEMBL29973704 0.91 TP53 (0.79) TP53MAPK1MAPTQPCTALDH1A1
SCHEMBL1525818 0.91 TP53 (0.79) TP53MAPK1MAPTQPCTALDH1A1
SCHEMBL12964826 0.86 MAPT (0.72) TP53MAPK1MAPTQPCTLMNA
SCHEMBL12964617 0.85 MAPT (0.64) TP53MAPK1MAPTQPCTLMNA
SCHEMBL1525960 0.82 ALDH1A1 (0.59) TP53MAPK1LMNAALDH1A1MEN1
SCHEMBL1525994 0.81 TP53 (0.59) TP53MAPK1QPCTLMNAALDH1A1
SCHEMBL11010135 0.81 MEN1 (0.69) TP53MAPK1LMNAALDH1A1MEN1
SCHEMBL21637934 0.81 MAPT (1.00) MAPTQPCTLMNARAB9AALDH1A1
SCHEMBL1526009 0.80 TP53 (0.61) TP53MAPK1MAPTLMNAALDH1A1

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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