SCHEMBL3262363

SCHEMBL3262363

Cn1cnc(S(=O)(=O)O)c1.O=C(c1ccc(NCc2ccc(Cl)cc2)cc1)N1CCCC(c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 15/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL3262360 0.91 PROKR1 (0.46) PROKR1LMNAALDH1A1HPGDHIF1A
SCHEMBL3264724 0.85 ALDH1A1 (0.55) PROKR1LMNAALDH1A1HPGDHIF1A
SCHEMBL325537 0.84 PROKR1 (0.39) PROKR1LMNAALDH1A1HPGDHIF1A
SCHEMBL1722509 0.81 PROKR1 (0.47) PROKR1LMNAALDH1A1HPGDHIF1A
SCHEMBL20394962 0.79 ALDH1A1 (0.61) PROKR1LMNAALDH1A1HPGDHIF1A
SCHEMBL3268298 0.78 HPGD (0.44) LMNAALDH1A1HPGDNPC1MAPT
SCHEMBL304021 0.75 PROKR1 (0.49) PROKR1LMNAALDH1A1HPGDHIF1A
SCHEMBL3264723 0.75 ALDH1A1 (0.55) PROKR1LMNAALDH1A1HPGDHIF1A
SCHEMBL3237608 0.73 GRM5 (0.75) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL3235160 0.72 GRM5 (0.49) ALDH1A1NPC1MAPTRAB9AGRM5

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
WO-2010023445-A1 NOVEL POTASSIUM CHANNEL BLOCKER XENTION LIMITED (GB) 2010-03-04 WO claimed