SCHEMBL4411343

SCHEMBL4411343

ClC(Cl)(Cl)n1nnc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ATM Q13315 1/20 0.46
NPC1 O15118 2/20 0.45
HPGD P15428 1/20 0.44
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4405947 0.85 RAB9A (0.50) SMN1; SMN2POLBRAB9AL3MBTL1ATM
SCHEMBL4415031 0.81 SMN1; SMN2 (0.60) SMN1; SMN2POLBRAB9AL3MBTL1ATM
SCHEMBL4414653 0.81 SMN1; SMN2 (0.53) SMN1; SMN2POLBRAB9AL3MBTL1ATM
SCHEMBL4638378 0.79 SMN1; SMN2 (0.51) SMN1; SMN2POLBRAB9AL3MBTL1ATM
SCHEMBL4405730 0.79 SMN1; SMN2 (0.51) SMN1; SMN2POLBRAB9AL3MBTL1ATM
SCHEMBL4617609 0.77 SMN1; SMN2 (0.56) SMN1; SMN2POLBRAB9AL3MBTL1ATM
SCHEMBL4403726 0.74 RAB9A (0.58) SMN1; SMN2RAB9AL3MBTL1ATMNPC1
SCHEMBL9137872 0.73 SMN1; SMN2 (0.46) SMN1; SMN2POLBRAB9AL3MBTL1NPC1
Propionic Acid SCHEMBL10593320 0.71 POLB (0.64) SMN1; SMN2POLBRAB9AL3MBTL1HPGD
SCHEMBL5798568 0.71 SMN1; SMN2 (0.50) SMN1; SMN2POLBRAB9AL3MBTL1ATM

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
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