SCHEMBL30453745

SCHEMBL30453745

Cc1n[nH]c2cc(N(C)c3ccnc(Nc4ccc(C(N)=O)cc4)n3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.53
HDAC6 Q9UBN7 7/20 0.53
HDAC3 O15379 5/20 0.53
HDAC4 P56524 5/20 0.53
HDAC7 Q8WUI4 5/20 0.53
HDAC2 Q92769 5/20 0.53
HDAC10 Q969S8 5/20 0.53
HDAC11 Q96DB2 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC9 Q9UKV0 5/20 0.53
HDAC5 Q9UQL6 5/20 0.53
LCK P06239 1/20 0.52
JAK3 P52333 1/20 0.52
KDR P35968 12/20 0.50
PARP1 P09874 9/20 0.50
FLT1 P17948 3/20 0.49
FLT4 P35916 3/20 0.49
CSF1R P07333 2/20 0.49
KIT P10721 2/20 0.49
PDGFRB P09619 1/20 0.49

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
SCHEMBL589341 1.00 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL30452921 0.90 KDR (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL588547 0.90 KDR (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL30452644 0.85 KDR (0.61) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL588581 0.85 KDR (0.61) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL31672478 0.83 KDR (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL10151205 0.83 KDR (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL589306 0.82 KDR (0.53) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL589388 0.82 KDR (0.66) LCKJAK3KDRPARP1FLT1
SCHEMBL30452580 0.82 KDR (0.66) LCKJAK3KDRPARP1FLT1

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed