SCHEMBL3455442

SCHEMBL3455442

ClCCCSc1ccc(Cl)cn1.O=S(=O)(CCCCl)c1ccc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 5/20 0.36
PPARD Q03181 2/20 0.35
KDM4E B2RXH2 2/20 0.34
PKM P14618 2/20 0.34
PLA2G7 Q13093 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL424168 0.86 PPARD (0.42) L3MBTL1PPARDKDM4EPOLBRAB9A
SCHEMBL423594 0.83 L3MBTL1 (0.40) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL19868461 0.71 KDM4E (0.41) L3MBTL1PPARDKDM4EPOLBRAB9A
SCHEMBL2646780 0.70 PPARD (0.42) L3MBTL1ALDH1A1PPARDKDM4ELMNA
SCHEMBL1657082 0.68 KDM4E (0.41) L3MBTL1ALDH1A1PPARDKDM4ELMNA
SCHEMBL11240410 0.68 ALDH1A1 (0.38) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL7920850 0.67 KDM4E (0.43) L3MBTL1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL18128057 0.66 GBA1 (0.34) L3MBTL1ALDH1A1KDM4EPKMPOLB
SCHEMBL2704697 0.64 CA1 (0.61) L3MBTL1KDM4EPOLB
SCHEMBL28456854 0.63 L3MBTL1 (0.42) L3MBTL1ALDH1A1KDM4EPKMMAPT

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-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP disclosed