SCHEMBL4643540

SCHEMBL4643540

O=S(=O)(NCC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)c1c(CF)cccc1CF

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
P2RX7 Q99572 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADRA1A P35348 4/20 0.33
ADRA1B P35368 4/20 0.33
CXCR4 P61073 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SCN1A P35498 3/20 0.32
SCN8A Q9UQD0 3/20 0.32
SCN5A Q14524 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3409569 0.89 ADRA1A (0.37) POLBALDH1A1KDM4EP2RX7MEN1
SCHEMBL4648354 0.88 POLB (0.43) POLBALDH1A1KDM4EP2RX7MEN1
SCHEMBL4648112 0.88 SCN1A (0.39) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL4646472 0.87 TP53 (0.36) POLBALDH1A1KDM4EP2RX7MEN1
SCHEMBL4647815 0.81 P2RX7 (0.43) POLBALDH1A1KDM4EP2RX7MEN1
SCHEMBL3381143 0.80 KDM4E (0.46) POLBALDH1A1KDM4EP2RX7MEN1
SCHEMBL3378843 0.80 KDM4E (0.46) POLBALDH1A1KDM4EP2RX7MEN1
SCHEMBL3378836 0.79 KDM4E (0.43) POLBALDH1A1KDM4EP2RX7MEN1
SCHEMBL4648508 0.78 ALDH1A1 (0.40) POLBALDH1A1P2RX7MEN1KMT2A
SCHEMBL4648701 0.77 P2RX7 (0.45) POLBALDH1A1P2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed