SCHEMBL7955681

SCHEMBL7955681

CN1CCc2ncc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ROCK2 O75116 7/20 0.45
ROCK1 Q13464 2/20 0.45
KDR P35968 3/20 0.45
LCK P06239 1/20 0.45
MAPK14 Q16539 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FFAR1 O14842 1/20 0.43
HSD17B3 P37058 1/20 0.43

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
SCHEMBL7945185 0.96 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53GAA
Hydrochloric Acid SCHEMBL8126991 0.94 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL8142230 0.89 KMT2A (0.44) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7953966 0.86 TRPV1 (0.51) RAB9ANPC1SMN1; SMN2TP53KDR
SCHEMBL7958661 0.85 KDR (0.47) RAB9ANPC1SMN1; SMN2TP53ROCK2
SCHEMBL7953316 0.85 PDGFRB (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL8128962 0.84 PDGFRB (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7951812 0.83 TP53 (0.48) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7953963 0.83 KMT2A (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8139746 0.83 RAB9A (0.48) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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 4 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
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