SCHEMBL7473453

SCHEMBL7473453

O=C(Nc1cccs1)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
HSD17B10 Q99714 6/20 0.39
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 5/20 0.39
GFER P55789 4/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 12/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
BCAT2 O15382 1/20 0.38
NPC1 O15118 4/20 0.35
RAB9A P51151 6/20 0.35
HTT P42858 5/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL6162255 0.83 MAPT (0.41) MAPTHSD17B10ALDH1A1ALOX15GFER
SCHEMBL6161725 0.81 MAPT (0.41) MAPTHSD17B10ALDH1A1ALOX15GFER
SCHEMBL4897236 0.80 CFTR (0.49) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL7387142 0.79 RORC (0.37) HSD17B10HPGDKDM4EBUB1
SCHEMBL7384705 0.78 BUB1 (0.43) ALDH1A1HTTKDM4EL3MBTL1BUB1
SCHEMBL7360053 0.77 CFTR (0.49) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL7361047 0.77 NPC1 (0.49) MAPTHSD17B10ALDH1A1HPGDGAA
SCHEMBL7364883 0.76 LMNA (0.46) MAPTHSD17B10ALDH1A1ALOX15GFER
SCHEMBL4902848 0.76 LMNA (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL7397423 0.75 NPC1 (0.44) MAPTHSD17B10ALDH1A1GAAMEN1

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 7 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
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
EP-0725775-B1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 1998-07-22 EP disclosed
EP-0825193-A1 Certain fused pyrrolecarboxanilides; a new class of gaba brain receptor ligands NEUROGEN CORPORATION (US) 1998-02-25 EP 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