SCHEMBL4018724

SCHEMBL4018724

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCC(=O)O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 11/20 0.83
HDAC3 O15379 4/20 0.83
HDAC4 P56524 4/20 0.83
HDAC1 Q13547 4/20 0.83
HDAC7 Q8WUI4 4/20 0.83
HDAC2 Q92769 4/20 0.83
HDAC10 Q969S8 4/20 0.83
HDAC11 Q96DB2 4/20 0.83
HDAC8 Q9BY41 4/20 0.83
HDAC6 Q9UBN7 4/20 0.83
HDAC9 Q9UKV0 4/20 0.83
HDAC5 Q9UQL6 4/20 0.83
PRKAA1 Q13131 7/20 0.81
PRKAA2 P54646 6/20 0.81
KDR P35968 10/20 0.80
TLK2 Q86UE8 3/20 0.80
FGFR1 P11362 6/20 0.79
CSF1R P07333 3/20 0.76
PLK4 O00444 2/20 0.76
DCLK1 O15075 2/20 0.76

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
SCHEMBL1625650 0.93 PDGFRB (0.84) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1625652 0.93 PDGFRB (0.84) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1625556 0.93 PDGFRB (0.84) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL4016628 0.93 PDGFRB (0.84) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1625555 0.93 PDGFRB (0.84) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL13960175 0.93 PDGFRB (0.83) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL3930220 0.92 PDGFRB (0.82) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL13960774 0.92 PRKAA1 (0.83) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1626040 0.91 PDGFRB (0.81) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1625529 0.91 PDGFRB (1.00) PDGFRBHDAC3HDAC4HDAC1HDAC7

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-2009014941-A1 3-(4-AMIDOPYRROL-2-YLMETHLIDENE)-2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS SHENZEN CHIPSCREEN BIOSCIENCE, LTD. (CN) 2009-01-29 WO disclosed