SCHEMBL4367461

SCHEMBL4367461

COC(=O)c1sccc1S(=O)(=O)N=C1NC(=O)C(=C(Cc2ccccc2)C2=COCO2)S1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
TP53 P04637 3/20 0.36
POLB P06746 2/20 0.35
THRB P10828 2/20 0.34
MAPT P10636 5/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
EDNRA P25101 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL497129 0.82 KMT2A (0.41) LMNAPOLBMAPTMEN1ALDH1A1
SCHEMBL496965 0.81 MEN1 (0.32) POLBMAPTMEN1ALDH1A1CRHBP
SCHEMBL496945 0.81 MAPT (0.34) POLBMAPTMEN1ALDH1A1CRHBP
SCHEMBL497261 0.80 KMT2A (0.48) LMNAPOLBMAPTMEN1ALDH1A1
SCHEMBL497245 0.75 HPGD (0.46) LMNATP53POLBALDH1A1CRHBP
SCHEMBL4379161 0.75 CDC25B (0.35) LMNATP53POLBALDH1A1KMT2A
SCHEMBL2788331 0.73 MEN1 (0.44) LMNAMAPK10POLBMEN1ALDH1A1
SCHEMBL1249099 0.73 HPGD (0.40) POLBMEN1ALDH1A1KMT2A
SCHEMBL2788176 0.72 DYRK3 (0.35) POLBMEN1KMT2APKM
SCHEMBL497531 0.71 NAT1 (0.39) LMNAPOLBMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP disclosed
EP-1648452-A1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2006-04-26 EP disclosed
WO-2005011686-A1 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed