SCHEMBL3682526

SCHEMBL3682526

COc1ccc(CNc2nc(N(OCCO)OCCO)nc3c(NCc4ccc(OC)cc4)nc(N(OCCO)OCCO)nc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRUNE1 Q86TP1 1/20 0.70
CCNE2 O96020 12/20 0.51
CCNE1 P24864 12/20 0.51
CDK2 P24941 12/20 0.51
PDE5A O76074 3/20 0.50
PDE4D Q08499 3/20 0.50
CCNT1 O60563 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
CCNH P51946 1/20 0.50
MNAT1 P51948 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
PDE10A Q9Y233 1/20 0.50
PDE6C P51160 2/20 0.48
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL3686041 0.83 CCNE2 (0.77) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL3682525 0.79 PRUNE1 (0.67) PRUNE1CCNE2CCNE1CDK2PDE5A
SCHEMBL7971734 0.79 PRUNE1 (0.60) PRUNE1CCNE2CCNE1CDK2PDE5A
SCHEMBL7960337 0.75 PRUNE1 (0.59) PRUNE1CCNE2CCNE1CDK2PDE5A
SCHEMBL27221084 0.74 CCNE2 (0.71) PRUNE1CCNE2CCNE1CDK2CDK1
SCHEMBL15619030 0.72 CCNE2 (0.68) PRUNE1CCNE2CCNE1CDK2PDE5A
SCHEMBL5827486 0.71 CDK2 (0.58) CCNE2CCNE1CDK2CDK1CCNB1
SCHEMBL15618715 0.68 CDK2 (0.71) PRUNE1CCNE2CCNE1CDK2CCNT1
SCHEMBL3106797 0.67 APP (0.61) PRUNE1PDE5APDE4DPDE6C
SCHEMBL11747999 0.67 PTGES (0.43) TDP1

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-2010056710-A1 COMPOSITIONS AND METHODS FOR TREATING EYE DISEASES BIOVISTA, INC. (US) 2010-05-20 WO disclosed