SCHEMBL8550975

SCHEMBL8550975

O=C1c2ccccc2C(=O)N1c1cccc2c3c([nH]c12)C=CC=CC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
NR1H3 Q13133 4/20 0.34
NR1H2 P55055 2/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 3/20 0.33
TLR9 Q9NR96 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
CRHBP P24387 1/20 0.33
CASP1 P29466 1/20 0.33
BRCA1 P38398 1/20 0.33
CASP7 P55210 1/20 0.33
HBB P68871 1/20 0.33
CRHR2 Q13324 1/20 0.33
GRM1 Q13255 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
SCHEMBL28823924 0.70 POLB (0.56) POLBKMT2AMEN1HTTALDH1A1
SCHEMBL20146143 0.70 KIF11 (0.43) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL7079413 0.68 MEN1 (0.41) POLBKMT2AMEN1HTTMAPT
SCHEMBL25438230 0.63
SCHEMBL4649466 0.63 POLB (0.65) POLBKMT2AMEN1NR1H3NR1H2
SCHEMBL8815712 0.62 POLB (1.00) POLBKMT2AMEN1NR1H3NR1H2
SCHEMBL27614146 0.62 MEN1 (0.55) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL8550970 0.62
SCHEMBL10599476 0.59 ESR1 (0.74) POLBKMT2AMEN1NR1H3NR1H2
SCHEMBL16311858 0.59 MEN1 (0.36) POLBKMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832650-A2 Use of serotonin 5-HT1F agonists for the prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed