SCHEMBL7945185

SCHEMBL7945185

CN1CCc2ncc(NC(=O)c3ccccc3)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
HTT P42858 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KDR P35968 3/20 0.48
LCK P06239 1/20 0.48
MAPK14 Q16539 1/20 0.48
ROCK2 O75116 5/20 0.46
HSD17B3 P37058 1/20 0.46
ROCK1 Q13464 1/20 0.46
TMPRSS2 O15393 1/20 0.45
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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 SCHEMBL8126991 0.99 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL7955681 0.96 MEN1 (0.46) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL7953966 0.87 TRPV1 (0.51) RAB9ANPC1SMN1; SMN2TP53KDR
SCHEMBL8139746 0.87 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL7958661 0.86 KDR (0.47) RAB9ANPC1SMN1; SMN2TP53KDR
SCHEMBL7953316 0.86 PDGFRB (0.47) RAB9ANPC1SMN1; SMN2KDRROCK2
SCHEMBL15407845 0.86 NPC1 (0.49) RAB9ANPC1SMN1; SMN2TP53HTT
Hydrochloric Acid SCHEMBL8128962 0.85 PDGFRB (0.47) RAB9ANPC1SMN1; SMN2KDRROCK2
SCHEMBL7954016 0.85 KDR (0.56) KDRLCKMAPK14KCNQ3KCNQ2
SCHEMBL8142230 0.85 KMT2A (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US claimed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP claimed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 WO claimed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 WO disclosed