SCHEMBL7359461

SCHEMBL7359461

COc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.44
ABCB1 P08183 1/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.44
JMJD7 P0C870 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
MAOB P27338 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL7400116 0.98 DHODH (0.47) DHODHABCB1RAB9ASMN1; SMN2NPC1
SCHEMBL7358902 0.92 TP53 (0.40) DHODHABCB1RAB9ASMN1; SMN2NPC1
SCHEMBL7398344 0.90 DHODH (0.40) DHODHABCB1RAB9ASMN1; SMN2NPC1
SCHEMBL7364226 0.89 TP53 (0.42) DHODHRAB9ASMN1; SMN2NPC1NR4A2
SCHEMBL7363099 0.88 DHODH (0.46) DHODHABCB1RAB9ASMN1; SMN2NPC1
SCHEMBL7363435 0.87 DHODH (0.41) DHODHNR4A2MAPTMEN1LMNA
SCHEMBL7449564 0.85 TP53 (0.46) DHODHABCB1RAB9ASMN1; SMN2NPC1
SCHEMBL7362143 0.85 XDH (0.45) DHODHRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7362629 0.84 ABCB1 (0.43) DHODHABCB1RAB9ASMN1; SMN2NPC1
SCHEMBL6768007 0.84 ABCB1 (0.43) DHODHABCB1RAB9ASMN1; SMN2NPC1

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 6 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
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP disclosed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO disclosed
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