SCHEMBL7951772

SCHEMBL7951772

CCOc1ccc(C(=O)Nc2cc3c(nc2Cl)CCN(C)C3)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
NR4A1 P22736 1/20 0.56
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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 0.91 MAPT (0.55) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7945170 0.90 MAPT (0.55) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7951760 0.83 MAPT (0.61) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7951820 0.82 MAPT (0.47) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL8142004 0.82 MAPT (0.46) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6601797 0.80 MAPT (0.55) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7953340 0.79 MAPT (0.49) MAPT
SCHEMBL6293914 0.78 MAPT (0.68) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6298321 0.78 MAPT (0.60) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7951743 0.76 MAPT (0.52) 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 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