SCHEMBL8208964

SCHEMBL8208964

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.77
TDP1 Q9NUW8 1/20 0.50
DDAH1 O94760 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.47
CHRM1 P11229 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL8201331 0.98 BCHE (0.79) BCHETDP1DDAH1POLBGAA
SCHEMBL8207504 0.97 BCHE (0.82) BCHETDP1DDAH1POLBGAA
SCHEMBL5181863 0.94 BCHE (0.81) BCHETDP1DDAH1POLBGAA
SCHEMBL8508405 0.90 BCHE (0.66) BCHETDP1DDAH1POLBGAA
SCHEMBL8201381 0.87 BCHE (1.00) BCHETDP1DDAH1POLBGAA
SCHEMBL29550341 0.84 BCHE (0.86) BCHETDP1DDAH1POLBGAA
SCHEMBL370724 0.84 BCHE (0.86) BCHETDP1DDAH1POLBGAA
Magnesium SCHEMBL30119882 0.82 BCHE (0.83) BCHETDP1DDAH1POLBGAA
SCHEMBL24247365 0.81 BCHE (0.81) BCHETDP1DDAH1POLBGAA
SCHEMBL20677807 0.81 BCHE (0.87) BCHETDP1DDAH1POLBGAA

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