SCHEMBL8382018

SCHEMBL8382018

CCN(NC(=O)c1ccc(C(=N)N)cc1)c1c(C(=O)O)c(=O)c2ccccc2n1Cc1nccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 1/20 0.35
F10 P00742 8/20 0.34
EGLN1 Q9GZT9 2/20 0.34
KLKB1 P03952 1/20 0.34
OPRD1 P41143 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
F2 P00734 3/20 0.33
PRSS1 P07477 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8382712 0.80 EGLN1 (0.39) F10EGLN1KLKB1F2
SCHEMBL8382010 0.79 EGLN1 (0.39) F10EGLN1KLKB1GAATSHR
SCHEMBL8382987 0.79 F10 (0.38) F10EGLN1KLKB1F2PRSS1
SCHEMBL8378813 0.78 EGLN1 (0.38) HDAC6F10EGLN1KLKB1LMNA
SCHEMBL8380898 0.75 SLC6A7 (0.43) F10TSHRALDH1A1
SCHEMBL27412209 0.73 GLA (0.40) EGLN1GAATSHRALDH1A1HPGD
SCHEMBL27476670 0.72 SCN9A (0.40) EGLN1TSHRALDH1A1
SCHEMBL9078301 0.71 CSNK2A1 (0.35) F10EGLN1OPRD1F2
SCHEMBL7008119 0.67 F10 (0.45) F10KLKB1LMNAF2MEN1
SCHEMBL8377538 0.65 CYP2D6 (0.38) EGLN1TSHRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889009-A ADMINISTERING 1,7-DISUBSTITUTED-4-OX-3-(QUINOLINECARBOXYLIC ACID OR NAPHTHYRIDINECARBOXYLIC ACID) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US disclosed
US-5703081-A CELL ADHESION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed