SCHEMBL6935324

SCHEMBL6935324

COc1ccc(N)c(CCO)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.38
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MTNR1A P48039 9/20 0.34
MTNR1B P49286 9/20 0.34
TXNRD1 Q16881 1/20 0.34
PDE10A Q9Y233 1/20 0.33
ADORA2A P29274 1/20 0.32
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5245987 0.87 NNMT (0.41) NNMTPOLBTDP1SIRT2SIRT1
SCHEMBL27517145 0.86 NNMT (0.38) NNMTPOLBTDP1SIRT2SIRT1
SCHEMBL5159486 0.84 ALDH1A1 (0.38) MTNR1AMTNR1BALDH1A1
SCHEMBL5160842 0.81 ALDH1A1 (0.44) MTNR1AMTNR1BALDH1A1
SCHEMBL19147472 0.80 POLB (0.36) NNMTPOLBTDP1MTNR1AMTNR1B
SCHEMBL5160373 0.80 ALDH1A1 (0.46) ALDH1A1
SCHEMBL30294896 0.79 PDE10A (0.40) NNMTPOLBTDP1SIRT2SIRT1
SCHEMBL5707601 0.79 LOXL2 (0.39) NNMTPOLBTDP1SIRT2SIRT1
SCHEMBL15822496 0.79 PDE10A (0.40) NNMTPOLBTDP1SIRT2SIRT1
SCHEMBL5159318 0.79 CD274 (0.44) KMT2A

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-1312606-A1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres L'OREAL (FR) 2003-05-21 EP disclosed