SCHEMBL6949348

SCHEMBL6949348

CC(C)=Cc1ccccc1NC1CCc2cc3nc(C)n(COC(=O)C(C)(C)C)c(=O)c3cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 5/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 6/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
NOD2 Q9HC29 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.32
PDE10A Q9Y233 2/20 0.32
CCKBR P32239 1/20 0.32
NPC1 O15118 2/20 0.32
APP P05067 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL8784811 0.87 P2RX3 (0.36) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL8784802 0.87 P2RX3 (0.36) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL6950342 0.87 KMT2A (0.37) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL8783227 0.86 CD38 (0.40) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL9206247 0.83 KMT2A (0.34) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL8784252 0.83 EIF4EBP1 (0.34) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL6949350 0.81 PDE10A (0.35) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL9207419 0.80 CD38 (0.34) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL9201272 0.80 CYP3A4 (0.33) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL9206253 0.80 EIF4EBP1 (0.34) KMT2AKDM4EMEN1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP disclosed
EP-0667864-B1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LTD (GB) 1997-09-24 EP disclosed
EP-0667864-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY. ZENECA LTD (GB) 1995-08-23 EP disclosed
WO-1994011354-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LIMITED (GB) 1994-05-26 WO disclosed