SCHEMBL4403726

SCHEMBL4403726

Cln1nnc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 1/20 0.50
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 2/20 0.48
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
XPO1 O14980 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL4414873 0.74 RAB9A (0.53) RAB9AL3MBTL1SMN1; SMN2ATMNPC1
SCHEMBL4411089 0.74 RAB9A (0.53) RAB9AL3MBTL1SMN1; SMN2ATMNPC1
SCHEMBL5289701 0.74 RAB9A (0.53) RAB9AL3MBTL1SMN1; SMN2ATMNPC1
SCHEMBL20816371 0.74 RAB9A (0.53) RAB9AL3MBTL1SMN1; SMN2ATMNPC1
SCHEMBL344042 0.74 RAB9A (0.53) RAB9AL3MBTL1SMN1; SMN2ATMNPC1
SCHEMBL2210395 0.74 RAB9A (0.53) RAB9AL3MBTL1SMN1; SMN2ATMNPC1
SCHEMBL8540443 0.74 RAB9A (0.53) RAB9AL3MBTL1SMN1; SMN2ATMNPC1
SCHEMBL4405559 0.74 RAB9A (0.53) RAB9AL3MBTL1SMN1; SMN2ATMNPC1
SCHEMBL4411343 0.74 SMN1; SMN2 (0.56) RAB9AL3MBTL1SMN1; SMN2ATMNPC1
SCHEMBL4413466 0.74 RAB9A (1.00) RAB9AL3MBTL1SMN1; SMN2ATMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP disclosed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 WO disclosed