SCHEMBL8201331

SCHEMBL8201331

OCCN(CCN(CCO)Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.79
DDAH1 O94760 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.49
CHRM1 P11229 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
EPHX2 P34913 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL8207504 0.98 BCHE (0.82) BCHEDDAH1POLBTDP1GAA
SCHEMBL8208964 0.98 BCHE (0.77) BCHEDDAH1POLBTDP1GAA
SCHEMBL5181863 0.95 BCHE (0.81) BCHEDDAH1POLBTDP1GAA
SCHEMBL8508405 0.91 BCHE (0.66) BCHEDDAH1POLBTDP1GAA
SCHEMBL8201381 0.89 BCHE (1.00) BCHEDDAH1POLBTDP1GAA
SCHEMBL29550341 0.85 BCHE (0.86) BCHEDDAH1POLBTDP1GAA
SCHEMBL370724 0.85 BCHE (0.86) BCHEDDAH1POLBTDP1GAA
Magnesium SCHEMBL30119882 0.83 BCHE (0.83) BCHEDDAH1POLBTDP1GAA
SCHEMBL24247365 0.83 BCHE (0.81) BCHEDDAH1POLBTDP1GAA
SCHEMBL20677816 0.82 BCHE (0.87) BCHEDDAH1POLBTDP1GAA

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
US-6022490-A FOR ACTIVATING PEROXY BLEACH LEVER BROTHERS COMPANY (US) 2000-02-08 US disclosed