SCHEMBL3973351

SCHEMBL3973351

C[C](c1ccccc1)N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
ALDH1A1 P00352 3/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 2/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.43
FAAH O00519 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL2107138 0.98 HPGD (0.59) HPGDALDH1A1USP2GAAMAPK1
SCHEMBL1723442 0.83 POLB (0.51) HPGDALDH1A1NPC1CYP2C9
SCHEMBL2425734 0.81 SIGMAR1 (0.61) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL11790594 0.77 HPGD (0.55) HPGDALDH1A1USP2GAAMAPK1
SCHEMBL22365689 0.74 ALDH1A1 (0.63) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL27798296 0.74 HPGD (0.63) HPGDALDH1A1USP2GAAMAPK1
SCHEMBL2182275 0.74 HPGD (0.63) HPGDALDH1A1USP2GAAMAPK1
SCHEMBL11482052 0.74 HPGD (0.52) HPGDALDH1A1USP2GAAMAPK1
SCHEMBL11482047 0.74 HPGD (0.52) HPGDALDH1A1USP2GAAMAPK1
SCHEMBL254870 0.73 HPGD (0.96) HPGDALDH1A1USP2MAPK1

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-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed