SCHEMBL7363737

SCHEMBL7363737

O=C(Nc1ccc(O)cc1)c1c[nH]c2c1C(=O)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DEGS1 O15121 2/20 0.39
XDH P47989 2/20 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
SCHEMBL7364883 0.97 LMNA (0.46) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL7364197 0.88 TP53 (0.46) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL7360053 0.88 CFTR (0.49) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8049526 0.86 KDM4E (0.42) KDM4ENPC1RAB9AROCK2ROCK1
SCHEMBL7360138 0.86 LMNA (0.43) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL7366047 0.86 ROCK2 (0.42) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL7397423 0.86 NPC1 (0.44) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL7397449 0.86 MAPT (0.47) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7367371 0.86 NTRK3 (0.42) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL7364057 0.86 MAPT (0.43) LMNAMAPTMEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS 1998-04-23 WO claimed
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS 1998-04-23 WO disclosed
WO-1998002420-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 WO disclosed