SCHEMBL6629996

SCHEMBL6629996

O=C(O)NCc1csc(C(=O)O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
GPR35 Q9HC97 1/20 0.38
MAPT P10636 2/20 0.35
GSK3B P49841 1/20 0.34
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPRC P08575 1/20 0.33
PTPRG P23470 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL4836672 0.79 GAA (0.37) KMT2APOLBTDP1L3MBTL1MEN1
SCHEMBL6596838 0.78 GPR35 (0.42) KMT2AGPR35MAPTGSK3BPOLB
SCHEMBL4078686 0.78 GPR35 (0.42) KMT2AGPR35GSK3BPOLBTDP1
SCHEMBL11325227 0.74 GPR35 (0.39) KMT2AGPR35GSK3BPOLBTDP1
SCHEMBL9405491 0.71 MEN1 (0.44) KMT2AL3MBTL1PTPRCMEN1TSHR
SCHEMBL4885038 0.70 GPR35 (0.36) GPR35GSK3BPOLBTDP1L3MBTL1
SCHEMBL3636522 0.70 L3MBTL1 (0.52) KMT2AGPR35GSK3BPOLBTDP1
SCHEMBL787848 0.69 GPR35 (0.47) KMT2AGPR35POLBTDP1L3MBTL1
SCHEMBL27504482 0.67 GPR35 (0.60) KMT2AGPR35GSK3BPOLBTDP1
SCHEMBL18701570 0.67 GPR35 (0.46) KMT2AGPR35GSK3BPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485356-A1 NON-PEPTIDE GnRH ANTAGONISTS Ferring BV (NL) 2004-12-15 EP disclosed
WO-2003078398-A1 NON-PEPTIDE GnRH ANTAGONISTS FERRING BV (NL) 2003-09-25 WO disclosed