SCHEMBL8549681

SCHEMBL8549681

CON(C)C(=O)COc1ccc(NC(C)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 6/20 0.58
ALDH1A1 P00352 5/20 0.58
RAB9A P51151 2/20 0.58
HTT P42858 2/20 0.58
HSD17B10 Q99714 1/20 0.58
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL13472196 0.80 TRPM8 (0.53) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL10608486 0.79 KMT2A (0.71) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL13536797 0.79 SMN1; SMN2 (0.50) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL1619155 0.78 MAPT (0.48) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL3868528 0.78 PTGS2 (0.55) KMT2AMEN1CYP1A2MAPTALDH1A1
SCHEMBL2795176 0.78 POLB (0.58) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL4842036 0.78 SMN1; SMN2 (0.63) KMT2AMEN1RAB9AHTTMAPK1
SCHEMBL839926 0.78 MEN1 (0.69) KMT2AMEN1LMNACYP1A2TDP1
Phenacetin SCHEMBL23280 0.77 KMT2A (1.00) KMT2AMEN1LMNACYP1A2TDP1
Phenacetin SCHEMBL18894356 0.77 KMT2A (1.00) KMT2AMEN1LMNACYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed