SCHEMBL2585189

SCHEMBL2585189

CCCCc1nccnc1OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 1/20 0.34
GRM5 P41594 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2586207 0.88 SMN1; SMN2 (0.41) SMN1; SMN2HPGDKMT2ALRRK2MEN1
SCHEMBL997911 0.84 CYP2D6 (0.39) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL2585538 0.79 SMN1; SMN2 (0.44) SMN1; SMN2HPGDKMT2ALRRK2MEN1
SCHEMBL674404 0.78 CYP2D6 (0.38) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL20873451 0.77 CCNB2 (0.39) CYP2D6CYP3A4TDP1L3MBTL1
SCHEMBL11437617 0.75 SMN1; SMN2 (0.43) SMN1; SMN2HPGDKMT2ALRRK2MEN1
SCHEMBL7598688 0.75 HPGD (0.52) CYP2D6SMN1; SMN2HPGDCYP3A4KMT2A
SCHEMBL9037154 0.74 CHRM1 (0.39) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL31462072 0.73 SMN1; SMN2 (0.40) SMN1; SMN2HPGDKMT2ALRRK2MEN1
SCHEMBL1074604 0.73 TDP1 (0.47) CYP2D6CYP3A4KMT2AMEN1ALDH1A1

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-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