SCHEMBL7915451

SCHEMBL7915451

Nc1c(Nc2cccc(-c3ccsc3)c2)c(=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
STK10 O94804 3/20 0.45
SLK Q9H2G2 3/20 0.45
BUB1 O43683 1/20 0.44
CTSC P53634 2/20 0.41
CTSL P07711 1/20 0.41
KCNH2 Q12809 1/20 0.41
PRMT6 Q96LA8 1/20 0.40
FYN P06241 1/20 0.40
PDGFRA P16234 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
AURKB Q96GD4 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
PTPRC P08575 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7905830 0.82 SIRT2 (0.48) CNR1MEN1POLBKMT2A
SCHEMBL30673072 0.81 CNR1 (0.63) CNR1STK10SLKBUB1CTSC
SCHEMBL7913081 0.80 HDAC3 (0.46) CNR1BUB1PRMT6PDGFRAMAPKAPK2
SCHEMBL7914175 0.78 BUB1 (0.44) BUB1KCNH2PRMT6MEN1POLB
SCHEMBL7915476 0.76 CNR1 (0.45) CNR1BUB1AURKBCYP2A6MEN1
SCHEMBL7905484 0.75 MEN1 (0.50) CNR1PRMT6AURKBCYP2A6MEN1
SCHEMBL7914160 0.72 CXCR2 (0.43) MEN1POLBKMT2AESR2
SCHEMBL7916081 0.71 CNR1 (0.47) CNR1MAPKAPK2CYP2A6BACE1KAT6A
SCHEMBL17664060 0.71 MAPT (0.45) STK10SLKMEN1POLBKMT2A
SCHEMBL8230052 0.71 ADORA2A (0.53) MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 US claimed
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 US disclosed
WO-1994029277-A1 AMILINO- OR PYRIDYLAMINO- CYCLOBUTENE- 1,2-DIONE DERIVATIVES AS cGMP PHOSPHODIESTERASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-12-22 WO disclosed