SCHEMBL4405559

SCHEMBL4405559

Brn1nnc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 3/20 0.49
MAPK1 P28482 2/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL4403726 0.74 RAB9A (0.58) RAB9AL3MBTL1NPC1MAPK1HPGD
SCHEMBL4414873 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1HPGD
SCHEMBL4411089 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1HPGD
SCHEMBL20816371 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1HPGD
SCHEMBL5289701 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1HPGD
SCHEMBL344042 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1HPGD
SCHEMBL8540443 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1HPGD
SCHEMBL2210395 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1HPGD
SCHEMBL2210517 0.72 NPC1 (0.77) RAB9AL3MBTL1NPC1ALDH1A1ABCG2
SCHEMBL4407251 0.71 RAB9A (0.46) RAB9AL3MBTL1NPC1MAPK1HPGD

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
CN-104447599-A Tetrazole heterocyclic compound and preparation method thereof UNIV ANHUI NORMAL 2015-03-25 CN disclosed
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