SCHEMBL22112750

SCHEMBL22112750

CCCCNC(=O)c1ccc(Nc2ccc(/C=C/c3ccccn3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ NAMPT P43490 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.46
▸ NAAA Q02083 2/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL12967103 0.90 KMT2A (0.47) KMT2AMEN1HDAC6HDAC3HDAC1
SCHEMBL1499521 0.89 HDAC6 (0.50) KMT2AMEN1NAMPTHDAC6HDAC3
SCHEMBL1499516 0.89 HDAC6 (0.50) KMT2AMEN1NAMPTHDAC6HDAC3
SCHEMBL29973275 0.86 SMN1; SMN2 (0.51) KMT2AMEN1NAMPTHDAC3HDAC1
SCHEMBL1499583 0.86 SMN1; SMN2 (0.51) KMT2AMEN1NAMPTHDAC3HDAC1
SCHEMBL1499581 0.86 SMN1; SMN2 (0.51) KMT2AMEN1NAMPTHDAC3HDAC1
SCHEMBL1499328 0.80 IGF1R (0.44) KMT2AMEN1HDAC6HDAC3HDAC1
SCHEMBL1499529 0.80 IGF1R (0.44) KMT2AMEN1HDAC6HDAC3HDAC1
SCHEMBL1499327 0.80 IGF1R (0.44) KMT2AMEN1HDAC6HDAC3HDAC1
SCHEMBL1499526 0.80 IGF1R (0.44) KMT2AMEN1HDAC6HDAC3HDAC1

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-2235000-B1 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NAT RECH SCIENT (FR) 2020-06-17 — — EP disclosed
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