SCHEMBL7945170

SCHEMBL7945170

CCOc1ccc(C(=O)Nc2cc3c(nc2C)CCN(C)C3)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HSD17B10 Q99714 2/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
NR4A1 P22736 1/20 0.55
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
HPSE Q9Y251 6/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7951754 0.92 MAPT (0.55) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL8142004 0.91 MAPT (0.46) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7951772 0.90 MAPT (0.56) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7951760 0.83 MAPT (0.61) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7951820 0.83 MAPT (0.47) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6293914 0.79 MAPT (0.68) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7945241 0.78 BRAF (0.48) MAPT
SCHEMBL6601797 0.77 MAPT (0.55) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7951743 0.76 MAPT (0.52) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7792020 0.76 MAPT (0.66) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12

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