SCHEMBL8697159

SCHEMBL8697159

Cc1nc(Cl)c(Cl)n1CCN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL7959296 0.73 ALDH1A1 (0.40) ALDH1A1HRH3
SCHEMBL11210909 0.73 KDM4E (0.40) ALDH1A1LMNAKDM4ETP53L3MBTL1
SCHEMBL16015681 0.69 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ECYP3A4KMT2A
SCHEMBL8416472 0.68 KDM4E (0.61) LMNAKDM4E
SCHEMBL3757039 0.68 LMNA (0.74) ALDH1A1LMNAKDM4ETP53L3MBTL1
SCHEMBL13202553 0.67 ALDH1A1 (0.45) ALDH1A1
SCHEMBL5374196 0.66 KMT2A (0.41) ALDH1A1LMNAKDM4ETSHRHPGD
SCHEMBL5374192 0.66 KMT2A (0.41) ALDH1A1LMNAKDM4ETSHRHPGD
SCHEMBL5375109 0.66 PDE10A (0.39) ALDH1A1LMNAKMT2A
SCHEMBL23828671 0.64 HRH3 (0.69) ALDH1A1LMNAL3MBTL1TSHRMAPT

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-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed