SCHEMBL27592250

SCHEMBL27592250

O=C(O)C1=CCCCC1S(=O)(=O)Nc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.48
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
MAP2K7 O14733 1/20 0.38
MAP2K4 P45985 1/20 0.38
POLB P06746 3/20 0.38
USP2 O75604 1/20 0.38
LIMK2 P53671 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL27985645 0.88 TLR4 (0.46) TLR4NPC1RAB9AKMT2AMEN1
SCHEMBL27883083 0.86 TLR4 (0.41) TLR4RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL27573674 0.86 TLR4 (0.48) TLR4NPC1RAB9AKMT2AMEN1
SCHEMBL27592261 0.85 TLR4 (0.48) TLR4NPC1RAB9AKMT2ATHRB
SCHEMBL27985935 0.84 TLR4 (0.48) TLR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL871804 0.84 TLR4 (0.69) TLR4NPC1RAB9AKMT2AMEN1
SCHEMBL27985969 0.84 TLR4 (0.47) TLR4NPC1RAB9AKMT2AMEN1
SCHEMBL872918 0.81 TLR4 (0.58) TLR4NPC1RAB9AGAASMN1; SMN2
SCHEMBL27985964 0.81 TLR4 (0.55) TLR4NPC1RAB9AGAAPOLB
SCHEMBL28159349 0.81 TLR4 (0.58) TLR4NPC1RAB9AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102821763-B Compound for inhibiting peripheral nerve disorder induced by anticancer agent 武田药品工业株式会社 2017-09-22 CN disclosed
CN-101212986-B Stable emulsified composition TAKEDA PHARMACEUTICAL 2015-01-14 CN disclosed
CN-102821763-A Compound for inhibiting peripheral nerve disorder induced by anticancer agent TAKEDA PHARMACEUTICAL 2012-12-12 CN disclosed
CN-102670503-A Stable emulsion composition TAKEDA PHARMACEUTICAL 2012-09-19 CN disclosed
CN-1416341-B Stable emulsion compositions TAKEDA CHEMICAL INDUSTRIES LTD 2010-05-05 CN disclosed
CN-101212986-A stable emulsified composition TAKEDA PHARMACEUTICAL (JP) 2008-07-02 CN disclosed
CN-1416341-A Stable emulsion compsns TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 CN disclosed