SCHEMBL3380339

SCHEMBL3380339

C=CCS(=O)(=O)N(C)CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
P2RX7 Q99572 1/20 0.33
CXCR4 P61073 2/20 0.31
GAA P10253 1/20 0.30
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL3378045 0.90 KDM4E (0.40) ALDH1A1KDM4EPOLBHRH3MEN1
SCHEMBL3377771 0.87 KDM4E (0.38) ALDH1A1KDM4EPOLBHRH3MEN1
SCHEMBL3376045 0.87 KDM4E (0.41) ALDH1A1KDM4EPOLBHRH3MEN1
SCHEMBL3377200 0.85 CXCR4 (0.39) ALDH1A1KDM4EPOLBHRH3MEN1
SCHEMBL3376016 0.85 KDM4E (0.39) ALDH1A1KDM4EPOLBHRH3MEN1
SCHEMBL3377477 0.84 KDM4E (0.39) ALDH1A1KDM4EPOLBHRH3MEN1
SCHEMBL3377781 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBHRH3MEN1
SCHEMBL3377734 0.84 CXCR4 (0.38) ALDH1A1KDM4EPOLBHRH3MEN1
SCHEMBL3380056 0.83 CXCR4 (0.45) ALDH1A1KDM4EPOLBHRH3MEN1
SCHEMBL3379302 0.83 CXCR4 (0.42) ALDH1A1KDM4EPOLBHRH3CXCR4

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-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed