SCHEMBL7360138

SCHEMBL7360138

O=C(Nc1ccc(F)cc1)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
BUB1 O43683 2/20 0.41
NPC1 O15118 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL7364197 0.97 TP53 (0.46) LMNATP53SMN1; SMN2RAB9AMAPK1
SCHEMBL7364883 0.88 LMNA (0.46) LMNATP53SMN1; SMN2RAB9AHTT
SCHEMBL7366047 0.87 ROCK2 (0.42) LMNATP53SMN1; SMN2RAB9AHTT
SCHEMBL7367371 0.87 NTRK3 (0.42) LMNASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL7364057 0.87 MAPT (0.43) LMNATP53SMN1; SMN2RAB9ANPC1
SCHEMBL7397449 0.87 MAPT (0.47) SMN1; SMN2HTTBUB1MEN1KMT2A
SCHEMBL7397423 0.87 NPC1 (0.44) LMNATP53SMN1; SMN2RAB9AHTT
SCHEMBL4897236 0.87 CFTR (0.49) LMNATP53SMN1; SMN2HTTBUB1
SCHEMBL7393617 0.86 NHERF1 (0.46) TP53SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL7363737 0.86 LMNA (0.49) LMNASMN1; SMN2RAB9ANPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725775-B1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 1998-07-22 EP claimed
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS 1998-04-23 WO claimed
WO-1998002420-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 WO claimed
EP-0725775-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1996-08-14 EP claimed
WO-1995011885-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1995-05-04 WO claimed
US-5925770-A GAMMA-AMINOBUTYRIC ACID DERIVATIVES FOR DIAGNOSIS OR TREATMENT OF ANXIETY, SLEEP DISORDERS, SEIZURES, OVERDOSES OF BENZODIAZEPINE TYPE DRUGS, COGNITION ACTIVATORS NEUROGEN CORPORATION (US) 1999-07-20 US disclosed
EP-0725775-B1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 1998-07-22 EP disclosed
US-5750702-A Certain pyrrolo pyridine-3-carboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 1998-05-12 US disclosed
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS 1998-04-23 WO disclosed
EP-0825193-A1 Certain fused pyrrolecarboxanilides; a new class of gaba brain receptor ligands NEUROGEN CORPORATION (US) 1998-02-25 EP disclosed
WO-1998002420-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 WO disclosed
EP-0725775-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1996-08-14 EP disclosed
WO-1995011885-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1995-05-04 WO disclosed