SCHEMBL7984460

SCHEMBL7984460

CCCCCCOc1cccc(-c2nc(=O)c3c(ncn3Cc3ccccc3)[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARN O95453 1/20 0.41
CNOT7 Q9UIV1 1/20 0.41
HDAC3 O15379 7/20 0.41
HDAC4 P56524 7/20 0.41
HDAC1 Q13547 7/20 0.41
HDAC7 Q8WUI4 7/20 0.41
HDAC2 Q92769 7/20 0.41
HDAC10 Q969S8 7/20 0.41
HDAC11 Q96DB2 7/20 0.41
HDAC8 Q9BY41 7/20 0.41
HDAC6 Q9UBN7 7/20 0.41
HDAC9 Q9UKV0 7/20 0.41
HDAC5 Q9UQL6 7/20 0.41
TSHR P16473 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40

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
SCHEMBL7985399 0.96 PARN (0.43) PARNCNOT7HDAC3HDAC4HDAC1
SCHEMBL7974409 0.90 PARN (0.45) PARNCNOT7TSHRKMT2AALDH1A1
SCHEMBL7987774 0.87 CNOT7 (0.46) PARNCNOT7TSHRNPSR1ADORA2A
SCHEMBL7974586 0.87 GAA (0.52) PARNCNOT7GAAMAPT
SCHEMBL7984451 0.85 ALDH1A1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7985633 0.82 ADORA2A (0.54) TSHRKMT2AADORA2AADORA1
SCHEMBL7985852 0.82 TP53 (0.52) GAAMAPT
SCHEMBL7988597 0.81 PARN (0.48) PARNCNOT7KMT2AALDH1A1HPGD
SCHEMBL7987255 0.81 PARN (0.48) PARNCNOT7ALDH1A1HPGDADORA1
SCHEMBL7985391 0.81 HPGD (0.47) KMT2AALDH1A1HPGDXBP1NPSR1

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-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed