SCHEMBL6499673

SCHEMBL6499673

O=C1NC(=O)C(c2c[nH]c3ccc(CCC(O)OCc4ccccc4)cc23)=C1c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 9/20 0.51
PRKCA P17252 8/20 0.51
PRKCH P24723 5/20 0.51
PRKCE Q02156 5/20 0.51
PRKCQ Q04759 5/20 0.51
PRKCD Q05655 5/20 0.51
CDK4 P11802 4/20 0.51
CCND1 P24385 4/20 0.51
CDK2 P24941 3/20 0.51
PRKACA P17612 3/20 0.51
PRKACG P22612 3/20 0.51
PRKACB P22694 3/20 0.51
SIRT2 Q8IXJ6 2/20 0.51
ABL1 P00519 2/20 0.51
CAMK2D Q13557 2/20 0.51
CCNE2 O96020 2/20 0.51
CCNE1 P24864 2/20 0.51
CCNB2 O95067 2/20 0.51
CDK1 P06493 2/20 0.51
CCNB1 P14635 2/20 0.51

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
SCHEMBL6510343 0.90 PRKCB (0.46) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL6982683 0.83 PRKCB (0.67) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL7815290 0.77 PRKCB (0.60) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL9085670 0.77 HTR1D (0.44) SIRT2KDR
SCHEMBL7822805 0.73 PRKCB (0.74) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL7814978 0.73 MAOA (0.58) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL9084320 0.73 MEN1 (0.45) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL9084178 0.73 PRKCB (0.60) PRKCBPRKCAPRKCHPRKCEPRKCQ
Ro-316233 SCHEMBL624896 0.71 PRKCB (1.00) PRKCBPRKCAPRKCHPRKCEPRKCQ
Ro-316233 SCHEMBL29373011 0.71 PRKCB (1.00) PRKCBPRKCAPRKCHPRKCEPRKCQ

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
WO-2005014584-A1 3-(INDOL-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES,3-(BENZIMIDAZOL-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES, AND 3-(INDOLIN-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES; THEIR PREPARATION AND USE AS MODULATORS OF APOPTOSIS AEGERA THERAPEUTICS INC. (CA) 2005-02-17 WO disclosed