SCHEMBL7380320

SCHEMBL7380320

CC(C)c1cc2c(C=O)cccn2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
PDE5A O76074 4/20 0.36
PDE4B Q07343 3/20 0.36
MIF P14174 2/20 0.36
MEN1 O00255 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE3A Q14432 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PDE4A P27815 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL543144 0.80 ALDH1A1 (0.38) ALDH1A1MEN1BLMKMT2ATSHR
SCHEMBL3207749 0.76 LMNA (0.32) ALDH1A1PDE4BMEN1BLMKMT2A
SCHEMBL11662894 0.76 PDE5A (0.36) ALDH1A1PDE5APDE4BMIFMEN1
SCHEMBL10359945 0.72 PDE4B (0.50) ALDH1A1PDE5APDE4BMIFMEN1
SCHEMBL13851134 0.71 ALDH1A1 (0.38) ALDH1A1PDE4BPDE3ATYRLMNA
SCHEMBL21067238 0.68 MEN1 (0.41) ALDH1A1MEN1BLMKMT2ATSHR
SCHEMBL7377607 0.68 MIF (0.40) ALDH1A1PDE5APDE4BMIFMEN1
SCHEMBL3228099 0.68 PDE4B (0.53) ALDH1A1PDE5APDE4BPDE3ATYR
SCHEMBL25803194 0.68 PDE5A (0.36) ALDH1A1PDE5APDE4BMIFMEN1
SCHEMBL27351226 0.67 MAP4K4 (0.38) ALDH1A1PDE5APDE4BMIFMEN1

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
EP-0368343-A2 Ameliorating composition for dysmnesia KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1990-05-16 EP disclosed