SCHEMBL13685644

SCHEMBL13685644

CCCCCNc1cc([N+](=O)[O-])c(C(N)=O)cc1N1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
CYP3A4 P08684 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
HCAR3 P49019 3/20 0.48
ALDH1A1 P00352 7/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 3/20 0.41
PRSS1 P07477 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38

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
SCHEMBL446497 0.80 MAPT (0.72) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6047059 0.79 MAPT (0.67) MAPTCYP3A4BLMPMP22ALDH1A1
Tretazicar SCHEMBL29375352 0.75 MAPT (1.00) MAPTCYP3A4BLMPMP22ALDH1A1
Tretazicar SCHEMBL366755 0.75 MAPT (1.00) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL5581335 0.73 MAPT (0.78) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL13685668 0.73 MAPT (0.78) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6571188 0.72 MAPT (0.68) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3678573 0.72 MAPT (0.72) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL27754610 0.70 MAPT (0.68) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL31296615 0.70 MAPT (0.60) MAPTCYP3A4BLMPMP22ALDH1A1

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-1951213-B1 USE OF ALPHA-HYDROXY CARBONYL COMPOUNDS AS REDUCING AGENTS MORVUS TECHNOLOGY LTD (GB) 2012-11-14 EP disclosed