SCHEMBL12474012

SCHEMBL12474012

CCCC(CCC)C(=O)Oc1ccc2c(c1)C(=CC13C4C5C6C1[Fe]56431789C3C1C7C8C39)C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 6/20 0.38
LRRK2 Q5S007 3/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MDM2 Q00987 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RET P07949 3/20 0.33
KDR P35968 2/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL25111 0.75 TLK2 (0.69) TLK2RETKDRPDPK1PDGFRA
SCHEMBL12473999 0.75 TLK2 (0.69) TLK2RETKDRPDPK1PDGFRA
SCHEMBL20229 0.74 RET (0.64) TLK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20228 0.74 RET (0.64) TLK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL21604 0.65 GAA (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31718452 0.64 MAOA (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27869713 0.63 ALDH1A1 (0.49) TLK2RET
SCHEMBL20763 0.59 TLK2 (0.70) TLK2RETKDRPDPK1PDGFRA
SCHEMBL20762 0.59 TLK2 (0.70) TLK2RETKDRPDPK1PDGFRA
SCHEMBL26564909 0.59 HDAC1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO claimed