SCHEMBL6950342

SCHEMBL6950342

Cc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(Nc1ccccc1C(=O)O)CC3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 6/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 7/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
NOD2 Q9HC29 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
C5AR1 P21730 1/20 0.35
HPGD P15428 2/20 0.35
EIF4EBP1 Q13541 1/20 0.35
PDE10A Q9Y233 2/20 0.34
CD38 P28907 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9206247 0.93 KMT2A (0.34) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL8783227 0.93 CD38 (0.40) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL8784252 0.92 EIF4EBP1 (0.34) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL9207419 0.90 CD38 (0.34) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL9206253 0.89 EIF4EBP1 (0.34) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL6949348 0.87 KMT2A (0.36) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL9200498 0.87 EIF4EBP1 (0.33) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL9207426 0.85 EIF4EBP1 (0.34) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL9201272 0.85 CYP3A4 (0.33) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL8784570 0.84 P2RY12 (0.34)

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 6 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-0758328-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INTERNATIONAL LIMITED (GB) 1997-02-19 EP disclosed
WO-1995030673-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-16 WO 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