SCHEMBL8558937

SCHEMBL8558937

CCOc1cc2c(Nc3ccc(OC)cc3C)ccnc2nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
RIPK2 O43353 3/20 0.42
KDR P35968 1/20 0.42
GAA P10253 2/20 0.40
P2RX7 Q99572 4/20 0.39
GAK O14976 2/20 0.38
COQ8A Q8NI60 2/20 0.38
NLK Q9UBE8 2/20 0.38
FGFR2 P21802 1/20 0.38
HTR1A P08908 1/20 0.38
OPRM1 P35372 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MKNK2 Q9HBH9 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 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
Hydrochloric Acid SCHEMBL8561797 0.99 ADRA1D (0.44) ADRA1DADRA1AADRA1BADRA2AADRA2C
SCHEMBL8559967 0.86 PDGFRA (0.48) RIPK2GAKCOQ8ANLKFGFR2
Hydrochloric Acid SCHEMBL8566059 0.85 HTT (0.50) RIPK2GAKCOQ8ANLKFGFR2
Water SCHEMBL8328226 0.85 PDGFRA (0.47) RIPK2GAKCOQ8ANLKFGFR2
SCHEMBL8560579 0.83 POLB (0.52) KDRGAAMAPTHPGDPOLB
Hydrochloric Acid SCHEMBL8563700 0.82 POLB (0.51) KDRGAAMAPTHPGDHSD17B10
SCHEMBL8561272 0.77 GAK (0.37) RIPK2GAAGAKCOQ8ANLK
SCHEMBL8562110 0.77 MAPT (0.56) GAAKDM4ELMNAMAPTHPGD
SCHEMBL8560347 0.77 ERBB2 (0.52) RIPK2KDRGAAFGFR2OPRM1
Hydrochloric Acid SCHEMBL8560744 0.76 GAK (0.36) RIPK2KDRGAAGAKCOQ8A

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
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed