SCHEMBL6960394

SCHEMBL6960394

Cc1[nH]c2ccccc2c1C1=C(c2cccc(OCCCCl)c2)C(=O)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.44
CYP2D6 P10635 3/20 0.44
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.37
GSK3B P49841 1/20 0.37
BCL2 P10415 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL6956475 0.83 ADORA2A (0.49) ADORA2ABRD4
SCHEMBL15797025 0.78 IMPDH2 (0.49) MEN1MAPTKMT2A
SCHEMBL15797209 0.77 PDE9A (0.50) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL6868738 0.74 IDO1 (0.47) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL6581528 0.73 GSK3B (0.62) PRKCAGSK3B
SCHEMBL6955589 0.73 ADORA2A (0.48) ADORA2A
SCHEMBL15797225 0.69 HDAC6 (0.43) MEN1MAPTKMT2AGSK3B
SCHEMBL8316185 0.66 PRKCB (0.50) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL19217082 0.66 CAMK2D (0.46) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL17210883 0.65 EIF2AK2 (0.43) MEN1MAPTKMT2A

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-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 EP disclosed
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO disclosed