SCHEMBL1122939

SCHEMBL1122939

COC(=O)c1cccc(OCCSc2cccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ADRB2 P07550 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1122756 0.86 KMT2A (0.55) KMT2AMEN1ADRB2NPC1RAB9A
SCHEMBL5720725 0.85 KMT2A (0.42) KMT2AMEN1ADRB2NPC1RAB9A
SCHEMBL1122848 0.81 LMNA (0.46) KMT2AMEN1ADRB2NPC1RAB9A
SCHEMBL2340354 0.75 KMT2A (0.71) KMT2AADRB2NPC1RAB9ASMN1; SMN2
SCHEMBL6283857 0.75 CYP4F2 (0.58) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL385706 0.75 RAB9A (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL31536904 0.74 SMPD1 (0.63) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4978207 0.74 MAPT (0.54) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL72899 0.74 MRGPRX4 (0.57) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1606555 0.74 MAPT (0.54) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 WO disclosed