SCHEMBL7649708

SCHEMBL7649708

CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)C(F)(F)F)C(C)(C)C3)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
PLAU P00749 1/20 0.40
NPC1 O15118 2/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
NR4A1 P22736 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7650167 0.90 ROCK2 (0.45) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL7652124 0.89 MAPT (0.52) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL7655163 0.82 MAPT (0.46) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL7656595 0.78 ROCK2 (0.39) KCNQ3KCNQ2ROCK2
SCHEMBL7659693 0.77 MEN1 (0.44) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL6299417 0.77 ROCK2 (0.59) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL7655629 0.76 ROCK2 (0.50) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL7649761 0.76 MAPT (0.46) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL7659674 0.73 MAPT (0.60) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL6295125 0.73 ABCB1 (0.52) 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-6492378-B1 Substituted isoquinoline derivatives and their use as anticonvulsivants SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-10 US claimed
US-6492378-B1 Substituted isoquinoline derivatives and their use as anticonvulsivants SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-10 US disclosed