SCHEMBL6159780

SCHEMBL6159780

OCCNc1cnn2c([AsH2])ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
BLM P54132 1/20 0.34
CASP7 P55210 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
FLT3 P36888 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL125285 0.82 NUDT1 (0.37) SMN1; SMN2PKMKMT2ATP53MAPT
SCHEMBL126959 0.68 SMPD3 (0.35) SMN1; SMN2KMT2ATP53MAPTPOLB
SCHEMBL7559366 0.63 SMN1; SMN2 (0.40) SMN1; SMN2PKMKMT2ATP53MAPT
SCHEMBL6156472 0.61 KDM4E (0.57) MAPTPOLBKDM4EALDH1A1GAA
SCHEMBL1979184 0.60 KDM4E (0.48) PKMMAPTPOLBKDM4EALDH1A1
SCHEMBL18510395 0.60 CDK1 (0.49) DYRK1A
SCHEMBL9689711 0.59 BACE1 (0.57) MAPTPOLBKDM4EALDH1A1GAA
SCHEMBL7515463 0.59 MAPT (0.44) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL14842870 0.57 MEN1 (0.57) SMN1; SMN2KMT2AMAPTCYP3A4BLM
SCHEMBL30880797 0.57 MAPT (0.43) MAPTIRAK4POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040817-B1 Dyeing composition comprising a pyrazolo(1,5-a)pyrimidine and a monocyclic polyaminopyrimidine as oxidation bases and a coupler, and dyeing process OREAL (FR) 2005-02-02 EP claimed