SCHEMBL7984451

SCHEMBL7984451

CCCCCCOc1cccc(-c2nc3ncn(Cc4ccccc4)c3c(=O)[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.45
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39

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
SCHEMBL7985391 0.96 HPGD (0.47) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL7974404 0.90 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL7987767 0.87 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL7974583 0.87 GAA (0.59) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL7984460 0.85 PARN (0.41) ALDH1A1HPGDGAAKMT2AXBP1
Morpholine SCHEMBL7988796 0.82 KMT2A (0.52) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL7985844 0.82 GAA (0.52) ALDH1A1HPGDGAA
SCHEMBL7988590 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL7987251 0.81 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL7985399 0.81 PARN (0.43) ALDH1A1HPGDGAAKMT2AXBP1

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