SCHEMBL8429206

SCHEMBL8429206

CNc1c(CC(=C=O)C(=O)O)cccc1-c1cccc(NC(=N)N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
CFD P00746 2/20 0.33
NQO2 P16083 2/20 0.33
MGLL Q99685 1/20 0.33
BTK Q06187 3/20 0.32
CNR1 P21554 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRMT3 O60678 2/20 0.32
CARM1 Q86X55 2/20 0.32
PRMT6 Q96LA8 2/20 0.32
PRMT1 Q99873 2/20 0.32
PRMT8 Q9NR22 2/20 0.32
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 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
SCHEMBL8530521 0.74 ENPP2 (0.47) ENPP2CFDMGLLPRMT3CARM1
SCHEMBL8430854 0.73 DHODH (0.43) ENPP2CFDMGLLHDAC1
SCHEMBL8531192 0.71 PTGER4 (0.48) ENPP2MGLLPLAUPLAT
SCHEMBL8432519 0.69 PTGER4 (0.45) ENPP2MGLL
SCHEMBL8532444 0.69 ENPP2 (0.46) ENPP2CFDMGLLBTKCNR1
SCHEMBL8431178 0.67 PLA2G10 (0.39) ENPP2
SCHEMBL8532339 0.65 ENPP2 (0.44) ENPP2CFDMGLLCNR1PRMT3
SCHEMBL8429182 0.65 PTGER4 (0.44) ENPP2HDAC1HDAC6
SCHEMBL8531524 0.65 ENPP2 (0.39) ENPP2BTKCNR1NR1H4L3MBTL1
SCHEMBL8432447 0.65 PARP1 (0.37) ENPP2NQO2MGLLCNR1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed