SCHEMBL7466679

SCHEMBL7466679

CCCCCc1c[nH]c(=O)c2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
MTNR1A P48039 1/20 0.41
PDPK1 O15530 1/20 0.40
PARP1 P09874 4/20 0.40
BCHE P06276 1/20 0.40
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.38
PDE2A O00408 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MET P08581 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 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
SCHEMBL858400 0.80 GPR84 (0.63) GPR84MTNR1APDPK1BCHEMET
SCHEMBL5138156 0.79 ALOX12 (0.46) MTNR1APARP1NPC1CYP1A2CYP2C19
SCHEMBL24824073 0.78 GPR84 (0.61) GPR84MTNR1APDPK1BCHEMET
SCHEMBL11815645 0.78 MTNR1A (0.47) MTNR1APARP1NPC1CYP1A2CYP2C19
SCHEMBL21143167 0.75 GPR84 (0.65) GPR84MTNR1APDPK1BCHEMET
SCHEMBL11816792 0.74 SMN1; SMN2 (0.46) MTNR1APARP1NPC1CYP1A2CYP2C19
SCHEMBL20064289 0.74 HTT (0.50) HTTNPC1RAB9AKDM4EKDM4A
SCHEMBL30630179 0.72 PARP1 (0.57) PARP1HTTNPC1MET
SCHEMBL19152789 0.72 PARP1 (0.57) PARP1HTTNPC1MET
SCHEMBL29459602 0.71 L3MBTL1 (0.53) PDPK1HTTNPC1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770078-A1 8-ARYL-1,6-NAPHTHYRIDIN-5-ONES F. HOFFMANN-LA ROCHE AG (CH) 1997-05-02 EP disclosed
EP-0770078-A1 8-ARYL-1,6-NAPHTHYRIDIN-5-ONES F. HOFFMANN-LA ROCHE AG (CH) 1997-05-02 EP disclosed
WO-1996002541-A1 8-ARYL-1,6-NAPHTHYRIDIN-5-ONES F. HOFFMANN-LA ROCHE AG (CH) 1996-02-01 WO disclosed
WO-1996002541-A1 8-ARYL-1,6-NAPHTHYRIDIN-5-ONES F. HOFFMANN-LA ROCHE AG (CH) 1996-02-01 WO disclosed
US-5466697-A 8-phenyl-1,6-naphthyridin-5-ones SYNTEX (U.S.A.) INC. (US) 1995-11-14 US disclosed
US-5466697-A 8-phenyl-1,6-naphthyridin-5-ones SYNTEX (U.S.A.) INC. (US) 1995-11-14 US disclosed