SCHEMBL5682015

SCHEMBL5682015

CCc1nn([C@H](N)C(C)OC(=O)/C=C/C(=O)OC(C)[C@@H](N)n2nc(CC)c3ccc(SC)cc32)c2cc(SC)ccc12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RCE1 Q9Y256 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7779507 1.00 SLC22A12 (0.32) SLC22A12GAAMEN1KMT2ASMN1; SMN2
SCHEMBL5678034 0.88 PTGDR2 (0.34) SLC22A12HTR2AHTR2C
SCHEMBL5678073 0.88 NLRP3 (0.38) SLC22A12
SCHEMBL7772318 0.88 NLRP3 (0.38) SLC22A12
SCHEMBL5678114 0.85 DPP7 (0.34) SLC22A12ALDH1A1KDM4EMAPTHPGD
SCHEMBL7777106 0.77 SLC22A12 (0.37) SLC22A12MAPTHTR2AHTR2C
SCHEMBL8009274 0.76 KMO (0.38) GAAALDH1A1KDM4EMAPTRCE1
SCHEMBL1981727 0.74 SLC6A4 (0.34) SLC22A12HTR2AHTR2CHTR2B
SCHEMBL5678098 0.72 DYRK1A (0.38) GAASMN1; SMN2ALDH1A1KDM4EHTR2A
Fumaric Acid SCHEMBL5682025 0.72 SLC22A12 (0.45) SLC22A12ALDH1A1HTR2AHTR2CHTR2B

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-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 EP disclosed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 US disclosed