SCHEMBL7359535

SCHEMBL7359535

O=C(Nc1ccccc1F)c1c[nH]c2c1C(=O)CCCC2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.44
RAB9A P51151 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.41
BCL3 P20749 1/20 0.40
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BUB1 O43683 1/20 0.39
EPHB3 P54753 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
SCHEMBL4902848 0.98 LMNA (0.55) LMNAL3MBTL1HTTRAB9AMEN1
SCHEMBL7362143 0.85 XDH (0.45) LMNARAB9ANPC1SMN1; SMN2BUB1
SCHEMBL7361047 0.84 NPC1 (0.49) LMNAHTTRAB9AMEN1KMT2A
SCHEMBL6164194 0.83 LMNA (0.55) LMNAL3MBTL1HTTRAB9AMEN1
SCHEMBL7365392 0.82 XDH (0.45) LMNAL3MBTL1HTTRAB9AMEN1
SCHEMBL7360053 0.82 CFTR (0.49) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL7367023 0.81 MAPT (0.41) LMNARAB9AMEN1KMT2ANPC1
SCHEMBL7398175 0.81 GLA (0.41) LMNARAB9AMEN1KMT2ANPC1
SCHEMBL7358902 0.81 TP53 (0.40) LMNARAB9AMEN1KMT2ANPC1
SCHEMBL7359461 0.81 DHODH (0.44) LMNARAB9AMEN1KMT2ANPC1

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 4 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-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 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