SCHEMBL2652656

SCHEMBL2652656

CCCCN(C(=O)Nc1nccs1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.44
BCHE P06276 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
GRM2 Q14416 1/20 0.43
PKM P14618 1/20 0.43
SCN9A Q15858 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
SCHEMBL1565820 0.86 KMT2A (0.51) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2653273 0.76 MAPT (0.50) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2652222 0.75 SMN1; SMN2 (0.49) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2653444 0.73 MAPK1 (0.57) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL1565010 0.72 SMN1; SMN2 (0.48) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1565387 0.70 MAPT (0.52) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11934278 0.69 BCHE (0.55) KMT2ABCHEMEN1GRM2
SCHEMBL153840 0.69 L3MBTL1 (0.54) BCHEL3MBTL1
SCHEMBL2655095 0.69 ALDH1A1 (0.48) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL20978448 0.69 BCHE (0.52) KMT2ABCHEMEN1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 EP claimed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO claimed
EP-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO disclosed