SCHEMBL7951767

SCHEMBL7951767

CC(C)Oc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
NR4A1 P22736 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ROCK2 O75116 6/20 0.45
PLAU P00749 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
HTR2A P28223 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 2/20 0.42
RAB9A P51151 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.39

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
SCHEMBL7953978 0.90 KMT2A (0.53) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL7951760 0.89 MAPT (0.61) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL7953382 0.89 ROCK2 (0.53) MAPTSMN1; SMN2HSD17B10ROCK2KCNQ3
SCHEMBL7951743 0.87 MAPT (0.52) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL7953309 0.87 MAPT (0.42) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL7955614 0.86 BRAF (0.44) SMN1; SMN2ROCK2KCNQ3KCNQ2HTR2A
SCHEMBL7951812 0.85 TP53 (0.48) MAPTSMN1; SMN2ALOX15HSD17B10ROCK2
SCHEMBL6299417 0.85 ROCK2 (0.59) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL7955615 0.85 HTR1D (0.40) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL7958537 0.83 MAPT (0.45) MAPTSMN1; SMN2ALOX15ALOX12NR4A1

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 2 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