SCHEMBL12967103

SCHEMBL12967103

CCNCCCNC(=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
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HDAC6 Q9UBN7 5/20 0.44
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40

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
SCHEMBL22112750 0.90 KMT2A (0.47) KMT2AMEN1SMN1; SMN2HDAC6HDAC3
SCHEMBL1499521 0.86 HDAC6 (0.50) KMT2AMEN1SMN1; SMN2HDAC6HDAC3
SCHEMBL1499516 0.86 HDAC6 (0.50) KMT2AMEN1SMN1; SMN2HDAC6HDAC3
SCHEMBL29973275 0.83 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2HDAC3HDAC1
SCHEMBL1499583 0.83 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2HDAC3HDAC1
SCHEMBL1499581 0.83 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2HDAC3HDAC1
SCHEMBL1499328 0.78 IGF1R (0.44) KMT2AMEN1HDAC6HDAC3HDAC1
SCHEMBL1499529 0.78 IGF1R (0.44) KMT2AMEN1SMN1; SMN2HDAC6HDAC3
SCHEMBL1499327 0.78 IGF1R (0.44) KMT2AMEN1HDAC6HDAC3HDAC1
SCHEMBL1499526 0.78 IGF1R (0.44) KMT2AMEN1SMN1; SMN2HDAC6HDAC3

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
WO-2012131656-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIÉTÉ SPLICOS (FR) 2012-10-04 — — WO disclosed
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