SCHEMBL2308352

SCHEMBL2308352

CC(=O)c1ccc(-c2ccc(Nc3nc4ccc(Cl)cc4s3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.60
FSCN1 Q16658 1/20 0.60
DGAT1 O75907 1/20 0.52
CSGALNACT1 Q8TDX6 1/20 0.52
CASP3 P42574 5/20 0.50
SENP7 Q9BQF6 5/20 0.50
SENP8 Q96LD8 4/20 0.50
SENP6 Q9GZR1 4/20 0.50
MMP13 P45452 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL1180003 0.85 DYRK1A (0.58) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL1761323 0.83 DGAT1 (0.52) DYRK1AFSCN1DGAT1CSGALNACT1CASP3
SCHEMBL2306840 0.83 DYRK1A (0.48) DYRK1AFSCN1DGAT1CSGALNACT1CASP3
Bicarbonate SCHEMBL2310949 0.82 CASP3 (0.58) DYRK1AFSCN1DGAT1CSGALNACT1CASP3
SCHEMBL1762122 0.81 DGAT1 (0.79) DYRK1AFSCN1DGAT1CSGALNACT1CASP3
SCHEMBL1748234 0.81 DGAT1 (0.58) DYRK1AFSCN1DGAT1CSGALNACT1CASP3
Bicarbonate SCHEMBL2315409 0.81 CASP3 (0.54) DYRK1AFSCN1DGAT1CSGALNACT1CASP3
SCHEMBL1748235 0.81 DGAT1 (0.58) DYRK1AFSCN1DGAT1CSGALNACT1CASP3
Bicarbonate SCHEMBL2311087 0.81 CASP3 (0.54) DYRK1AFSCN1DGAT1CSGALNACT1CASP3
SCHEMBL2309828 0.81 DGAT1 (0.51) DYRK1AFSCN1DGAT1CSGALNACT1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP claimed