SCHEMBL8784802

SCHEMBL8784802

CC(C)=Cc1ccc(NC2CCc3cc4nc(C)n(COC(=O)C(C)(C)C)c(=O)c4cc32)cc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.36
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
KDM4E B2RXH2 4/20 0.33
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 3/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
EIF4EBP1 Q13541 2/20 0.30

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 1.00 P2RX3 (0.36) P2RX3AGTR1AGTR2KDM4ENPC1
SCHEMBL6949348 0.87 KMT2A (0.36) KDM4ENPC1SMN1; SMN2KMT2AMEN1
SCHEMBL8784371 0.86 EIF4EBP1 (0.31) AGTR1AGTR2KDM4EKMT2AMEN1
SCHEMBL6949037 0.81 KDM4E (0.35) KDM4ENPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6949031 0.81 KDM4E (0.35) KDM4ENPC1SMN1; SMN2KMT2AMEN1
SCHEMBL8783754 0.81 PDE7A (0.34) KDM4ENPC1SMN1; SMN2KMT2AMEN1
SCHEMBL8783752 0.81 PDE7A (0.34) KDM4ENPC1SMN1; SMN2KMT2AMEN1
SCHEMBL8784252 0.79 EIF4EBP1 (0.34) KDM4EKMT2AMEN1LMNAPOLB
SCHEMBL6950342 0.79 KMT2A (0.37) KDM4ESMN1; SMN2KMT2AMEN1LMNA
SCHEMBL8783227 0.78 CD38 (0.40) KDM4ENPC1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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