SCHEMBL2586207

SCHEMBL2586207

CCCc1nccnc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
LRRK2 Q5S007 1/20 0.36
GRM5 P41594 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HSP90AA1 P07900 1/20 0.33
NQO1 P15559 1/20 0.32
SLC13A5 Q86YT5 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2585189 0.88 CYP2D6 (0.39) SMN1; SMN2HPGDLRRK2GRM5KMT2A
SCHEMBL2581673 0.83 CYP2D6 (0.37) PDE3BPDE3ASLC6A2SLC6A4ALDH1A1
SCHEMBL2585538 0.82 SMN1; SMN2 (0.44) SMN1; SMN2HPGDLRRK2GRM5PDE3B
SCHEMBL11437617 0.78 SMN1; SMN2 (0.43) SMN1; SMN2HPGDLRRK2GRM5KMT2A
SCHEMBL9797792 0.78 PDE3B (0.42) HPGDPDE3BPDE3AHSP90AA1ALDH1A1
SCHEMBL7598688 0.78 HPGD (0.52) SMN1; SMN2HPGDLRRK2GRM5KMT2A
SCHEMBL31462072 0.77 SMN1; SMN2 (0.40) SMN1; SMN2HPGDLRRK2GRM5KMT2A
Ammonia Solution, Strong SCHEMBL28789679 0.76 HPGD (0.50) SMN1; SMN2HPGDLRRK2GRM5KMT2A
SCHEMBL2584656 0.75 HPGD (0.39) SMN1; SMN2HPGDLRRK2GRM5PDE3B
SCHEMBL10342969 0.75 HSP90AA1 (0.35) SMN1; SMN2PDE3BPDE3AKMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8052959-B2 Hydrogen supply device and method of supplying hydrogen TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2011-11-08 US disclosed
US-20100163802-A1 HYDROGEN SUPPLY DEVICE AND METHOD OF SUPPLYING HYDROGEN TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-07-01 US disclosed
WO-2004024853-A1 ALKOXY PYRAZINES FOR ODORISING GAS SYMRISE GMBH & CO. KG (DE) 2004-03-25 WO disclosed