SCHEMBL4548291

SCHEMBL4548291

O=C(O)c1cc(=O)c2cc(-c3ccsc3)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CSNK2A1 P68400 4/20 0.52
KDM4E B2RXH2 3/20 0.52
CSNK2A2 P19784 3/20 0.52
CSNK2B P67870 3/20 0.52
CSNK2A3 Q8NEV1 3/20 0.52
USP2 O75604 1/20 0.52
PTGS1 P23219 1/20 0.52
AKR1B1 P15121 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
PLA2G2A P14555 2/20 0.44
PLA2G4A P47712 2/20 0.44
PIM1 P11309 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
GPR35 Q9HC97 1/20 0.41
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5395654 0.82 PIM1 (0.56) CSNK2A1CSNK2A2CSNK2BCSNK2A3ACMSD
SCHEMBL27509465 0.74 CSNK2A1 (0.47) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL29115389 0.74 PIM1 (0.70) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL2976354 0.73 AKR1B1 (0.76) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL4256569 0.73 ALDH1A1 (0.69) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL18144902 0.73 ALDH1A1 (0.69) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL4545204 0.73 DYRK1A (0.56) ACMSDTDP1MAOBKCNH2
SCHEMBL379054 0.72 ALDH1A1 (0.67) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL1504213 0.72 ALDH1A1 (1.00) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL2318176 0.72 ALDH1A1 (0.67) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B

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
US-8716191-B2 Method of preparing an adduct UNIVERSITE DE STRASBOURG (FR) 2014-05-06 US disclosed
EP-2446033-B1 METHOD OF PREPARING AN ADDUCT UNIV STRASBOURG (FR) 2013-10-23 EP disclosed
US-20120115751-A1 METHOD OF PREPARING AN ADDUCT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-05-10 US disclosed
WO-2010150103-A2 METHOD OF PREPARING AN ADDUCT UNIVERSITE DE STRASBOURG (FR) 2010-12-29 WO disclosed