SCHEMBL6949031

SCHEMBL6949031

Cc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(Nc1ccc(C(=O)O)nc1)CC3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
EIF4EBP1 Q13541 7/20 0.35
CYP2C8 P10632 3/20 0.33
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 2/20 0.32
CYP2C9 P11712 1/20 0.32
PIK3CA P42336 2/20 0.32
RAB9A P51151 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6949037 1.00 KDM4E (0.35) KDM4EKMT2AMEN1POLBEIF4EBP1
SCHEMBL8783752 0.93 PDE7A (0.34) KDM4EKMT2AMEN1POLBEIF4EBP1
SCHEMBL8783754 0.93 PDE7A (0.34) KDM4EKMT2AMEN1POLBEIF4EBP1
SCHEMBL6950342 0.84 KMT2A (0.37) KDM4EKMT2AMEN1POLBEIF4EBP1
SCHEMBL9206247 0.82 KMT2A (0.34) KDM4EKMT2AMEN1POLBEIF4EBP1
SCHEMBL8784811 0.81 P2RX3 (0.36) KDM4EKMT2AMEN1POLBEIF4EBP1
SCHEMBL8784802 0.81 P2RX3 (0.36) KDM4EKMT2AMEN1POLBEIF4EBP1
SCHEMBL8784252 0.81 EIF4EBP1 (0.34) KDM4EKMT2AMEN1POLBEIF4EBP1
SCHEMBL9206253 0.81 EIF4EBP1 (0.34) KDM4EKMT2AMEN1POLBEIF4EBP1
SCHEMBL8784371 0.80 EIF4EBP1 (0.31) KDM4EKMT2AMEN1POLBEIF4EBP1

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-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