SCHEMBL5201009

SCHEMBL5201009

Cc1c(N)ccc(CC=O)c1O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ IMPDH2 P12268 1/20 0.30

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
SCHEMBL5200338 0.81 TYR (0.49) TSHRMEN1CYP1A2MAPTKMT2A
SCHEMBL16335022 0.78 ERN1 (0.35) TSHRMEN1CYP1A2MAPTKMT2A
SCHEMBL5200269 0.76 MEN1 (0.48) TSHRMEN1CYP1A2MAPTKMT2A
SCHEMBL11199700 0.75 IGF1R (0.40) TSHRMEN1CYP1A2MAPTKMT2A
SCHEMBL1801222 0.75 CYP3A4 (0.48) TSHRMAPTHSD17B10CYP3A4PIK3CA
SCHEMBL3378789 0.75 MMP2 (0.44) TSHRMEN1MAPTKMT2AHSD17B10
SCHEMBL27550595 0.73 CYP3A4 (0.50) TSHRHSD17B10CYP3A4PIK3CAESR1
SCHEMBL5199170 0.73 TDP1 (0.43) TSHRKMT2ACYP3A4IMPDH2
SCHEMBL5240456 0.71 TYR (0.38) MEN1MAPTKMT2ATYRESR1
SCHEMBL4385600 0.71 TDP1 (0.48) TSHRHSD17B10CYP3A4

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-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 — — EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 — — WO disclosed
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