SCHEMBL7656862

SCHEMBL7656862

CCc1ccc(C(=O)Nc2ccc3c(c2)CN(C)C(C)(C)C3)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 4/20 0.48
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
NR4A1 P22736 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NAMPT P43490 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
MELK Q14680 1/20 0.38
ABCB1 P08183 1/20 0.37

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
SCHEMBL7659674 0.86 MAPT (0.60) L3MBTL3MAPTSMN1; SMN2ALOX15ALOX12
SCHEMBL6299508 0.82 ROCK2 (0.53) L3MBTL3MAPTSMN1; SMN2ALOX15ALOX12
SCHEMBL7991313 0.80 L3MBTL3 (0.45) L3MBTL3HTR1DHTR1BHTR2AMAPT
SCHEMBL7658631 0.80 MAPT (0.45) L3MBTL3HTR1DHTR1BHTR2AMAPT
SCHEMBL6293918 0.80 L3MBTL3 (0.52) L3MBTL3L3MBTL1MEN1KMT2AABCB1
SCHEMBL6294922 0.76 L3MBTL3 (0.47) L3MBTL3RAB9ANPC1L3MBTL1KMT2A
SCHEMBL7655629 0.75 ROCK2 (0.50) MAPTSMN1; SMN2HSD17B10RAB9ANPC1
SCHEMBL7656576 0.74 MEN1 (0.40) L3MBTL3HTR1DHTR1BHTR2AMAPT
SCHEMBL7653429 0.74 BRAF (0.48) MAPTSMN1; SMN2NAMPTTP53MEN1
SCHEMBL7656532 0.74 ROCK2 (0.43) L3MBTL3NAMPT

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-6492378-B1 Substituted isoquinoline derivatives and their use as anticonvulsivants SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-10 US claimed
EP-1104404-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2001-06-06 EP claimed
WO-2000009486-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-24 WO claimed
US-6492378-B1 Substituted isoquinoline derivatives and their use as anticonvulsivants SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-10 US disclosed
EP-1104404-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2001-06-06 EP disclosed
WO-2000009486-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-24 WO disclosed