SCHEMBL24522583

SCHEMBL24522583

C=Cc1cccc(C(=C)Nc2cccc3cccnc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.51
RAB9A P51151 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NPC1 O15118 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
KDM4E B2RXH2 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 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
SCHEMBL23959771 0.76 MAPT (0.60) KDRRAB9AMEN1KMT2ANPC1
SCHEMBL23959796 0.76 HDAC6 (0.53) KDRRAB9AMEN1KMT2ANPC1
SCHEMBL23959786 0.73 CYP1A2 (0.52) KDRMEN1KMT2AL3MBTL1HTT
SCHEMBL11262478 0.71 KDM4E (0.69) KDRRAB9AMEN1KMT2ANPC1
SCHEMBL30511903 0.71 KDM4E (0.69) KDRRAB9AMEN1KMT2ANPC1
SCHEMBL23959781 0.69 KDR (0.71) KDRRAB9AMEN1KMT2AL3MBTL1
SCHEMBL17486864 0.69 KDR (0.70) KDRRAB9AMEN1KMT2ANPC1
SCHEMBL22041544 0.69 TDP1 (0.69) KDRMEN1KMT2AHTTKDM4E
SCHEMBL29763591 0.69 TDP1 (0.69) KDRMEN1KMT2AHTTKDM4E
SCHEMBL22072823 0.68 TDP1 (0.58) KDRRAB9AMEN1KMT2ANPC1

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-3458444-B1 HISTONE DEACETYLASE 6 INHIBITORS AND USE THEREOF UNIV TAIPEI MEDICAL (TW) 2022-06-22 EP disclosed