SCHEMBL3682525

SCHEMBL3682525

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRUNE1 Q86TP1 1/20 0.67
CCNE2 O96020 10/20 0.53
CCNE1 P24864 10/20 0.53
CDK2 P24941 10/20 0.53
CDK1 P06493 4/20 0.53
PDE5A O76074 3/20 0.53
PDE4D Q08499 3/20 0.53
CCNB1 P14635 3/20 0.53
CDK5 Q00535 2/20 0.53
CDK5R1 Q15078 2/20 0.53
CCNT1 O60563 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53
CCNH P51946 1/20 0.53
MNAT1 P51948 1/20 0.53
PDE10A Q9Y233 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
PDE6C P51160 2/20 0.48
CCNB2 O95067 2/20 0.46

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
SCHEMBL1394954 0.83 CCNE1 (0.77) CCNE2CCNE1CDK2CDK1PDE5A
SCHEMBL3682526 0.79 PRUNE1 (0.70) PRUNE1CCNE2CCNE1CDK2CDK1
SCHEMBL7970173 0.77 TDP1 (0.54) PRUNE1CCNE2CCNE1CDK2CDK1
SCHEMBL15619030 0.75 CCNE2 (0.68) PRUNE1CCNE2CCNE1CDK2CDK1
SCHEMBL15618715 0.73 CDK2 (0.71) PRUNE1CCNE2CCNE1CDK2CDK1
SCHEMBL7971734 0.71 PRUNE1 (0.60) PRUNE1CCNE2CCNE1CDK2CDK1
SCHEMBL7960337 0.70 PRUNE1 (0.59) PRUNE1CCNE2CCNE1CDK2CDK1
SCHEMBL2905972 0.68 CDK2 (0.76) CCNE1CDK2CDK1CCNB1CDK5
SCHEMBL3287040 0.67 KCNH3 (0.60) TDP1
SCHEMBL8610978 0.67 ALDH1A1 (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173740-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM Osta Biotechnologies (CA) 2010-04-14 EP claimed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO claimed
WO-2010056710-A1 COMPOSITIONS AND METHODS FOR TREATING EYE DISEASES BIOVISTA, INC. (US) 2010-05-20 WO disclosed
EP-2173740-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM Osta Biotechnologies (CA) 2010-04-14 EP disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO disclosed