SCHEMBL4554948

SCHEMBL4554948

COCCn1cc(C(=O)OS(N)(=O)=O)c2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
GSK3B P49841 1/20 0.43
ICMT O60725 1/20 0.43
IDO1 P14902 1/20 0.41
IL1B P01584 1/20 0.41
P2RX7 Q99572 1/20 0.41
SMN1; SMN2 Q16637 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
Sulfamate SCHEMBL4554947 0.85 HRH2 (0.45) HTR3AMAPTCNR1CNR2GSK3B
SCHEMBL2817707 0.82 ALDH1A1 (0.50) HTR3AMAPTCNR1CNR2GSK3B
SCHEMBL25403772 0.78 CNR1 (0.50) HTR3ALMNAMAPTPOLBNPSR1
SCHEMBL31083818 0.78 CNR1 (0.50) HTR3ALMNAMAPTPOLBNPSR1
SCHEMBL30564140 0.78 SMN1; SMN2 (0.56) HTR3ALMNAMAPTPOLBNPSR1
SCHEMBL25404249 0.75 IDO1 (0.58) HTR3ACNR1CNR2ICMTIDO1
SCHEMBL4602725 0.73 GSK3B (0.47) NPSR1CNR1CNR2GSK3BICMT
SCHEMBL4602721 0.72 GSK3B (0.47) NPSR1CNR1CNR2GSK3BICMT
SCHEMBL2814624 0.71 ALDH1A1 (0.61) LMNAMAPTPOLBGSK3BSMN1; SMN2
SCHEMBL20379523 0.69 SCN9A (0.46) HTR3ALMNAMAPTPOLBNPSR1

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-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed