SCHEMBL6414890

SCHEMBL6414890

O=C(O)C(Cn1nc2ccccc2n1)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
APAF1 O14727 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SRC P12931 1/20 0.36
MITF O75030 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5827488 0.72 ALPI (0.47) APAF1
SCHEMBL9702510 0.70 ESR1 (0.50) CYP2C19LMNAHSD17B10ESR1ESR2
SCHEMBL5156210 0.70 ESR1 (0.61) LMNAHSD17B10ESR1ESR2POLB
SCHEMBL7087165 0.69 ESR1 (0.48) CYP2C19LMNAHSD17B10ESR1ESR2
SCHEMBL5488862 0.68 ESR1 (0.47) CYP2C19LMNAHSD17B10ESR1ESR2
SCHEMBL11248515 0.68 PTGS1 (0.61) CYP2C19LMNAHSD17B10ESR1ESR2
SCHEMBL819392 0.68 LMNA (0.61) CYP2C19LMNAHSD17B10ESR1ESR2
SCHEMBL4795362 0.68 ESR1 (0.47) CYP2C19LMNAHSD17B10ESR1ESR2
SCHEMBL1118743 0.68 TAAR1 (0.52) CYP2C19LMNAHSD17B10ESR1ESR2
SCHEMBL1118667 0.68 TAAR1 (0.52) CYP2C19LMNAHSD17B10ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861458-B2 Photoprotective and lightfastness-enhancing siloxanes XEROX CORPORATION (US) 2005-03-01 US disclosed