SCHEMBL4647478

SCHEMBL4647478

O=S(=O)(NCCC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.47
KMT2A Q03164 2/20 0.38
TBXA2R P21731 2/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 5/20 0.36
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL4646920 0.83 CCR1 (0.41) KMT2AHTTKDM4EALDH1A1POLB
SCHEMBL4648354 0.82 POLB (0.43) LSSKMT2AKDM4EALDH1A1POLB
SCHEMBL3379302 0.81 CXCR4 (0.42) KDM4EALDH1A1POLB
SCHEMBL4648112 0.78 SCN1A (0.39) KMT2AKDM4EALDH1A1POLBMEN1
SCHEMBL4643540 0.77 POLB (0.38) KMT2AKDM4EALDH1A1POLBP2RX7
SCHEMBL4647711 0.76 HRH3 (0.45) POLBP2RX7
SCHEMBL4648462 0.76 HTR7 (0.41) LSSKMT2AALDH1A1POLBMEN1
SCHEMBL3376162 0.75 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1POLBP2RX7
SCHEMBL3377597 0.75 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1POLBP2RX7
SCHEMBL3377318 0.75 PKM (0.49) KMT2APOLBMEN1

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 disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO disclosed