SCHEMBL7366681

SCHEMBL7366681

COc1cccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.57
RAB9A P51151 9/20 0.53
NPC1 O15118 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPK14 Q16539 1/20 0.48
GRM5 P41594 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NLRP3 Q96P20 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL7399600 0.98 TP53 (0.55) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7398647 0.86 MAPT (0.53) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7367184 0.86 BRD4 (0.48) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7446245 0.85 TP53 (0.68) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6095650 0.84 LMNA (0.44) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6095645 0.84 TP53 (0.42) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4899666 0.84 MAPT (0.50) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6773412 0.84 BRD4 (0.52) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7361057 0.83 POLB (0.46) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL7394118 0.83 MEN1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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