SCHEMBL6592271

SCHEMBL6592271

O=C(O)Oc1ccc([N+](=O)[O-])cc1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
TGM2 P21980 1/20 0.42
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CETP P11597 1/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SRD5A2 P31213 1/20 0.39
POLB P06746 1/20 0.39
PPARD Q03181 1/20 0.39
PHGDH O43175 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38

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
SCHEMBL6592281 1.00 MMP1 (0.42) MMP1TGM2RAB9AMEN1LMNA
SCHEMBL48069 0.85 CYP19A1 (0.49) MEN1LMNAMAPTKMT2ACYP19A1
SCHEMBL48068 0.85 CYP19A1 (0.49) MEN1LMNAMAPTKMT2ACYP19A1
SCHEMBL6595335 0.84 ALDH1A1 (0.45) MEN1LMNAMAPTKMT2ACYP19A1
SCHEMBL7414457 0.84 CYP19A1 (0.55) MEN1LMNAMAPTKMT2ACYP19A1
SCHEMBL24749809 0.84 TDP1 (0.47) MEN1LMNAMAPTKMT2ACETP
SCHEMBL7415724 0.84 CYP19A1 (0.55) MEN1LMNAMAPTKMT2ACYP19A1
SCHEMBL29570634 0.84 MITF (0.45) MEN1LMNAMAPTKMT2ACYP19A1
SCHEMBL6595337 0.84 ALDH1A1 (0.45) MEN1LMNAMAPTKMT2ACYP19A1
SCHEMBL10633557 0.83 PTGDR2 (0.49) MEN1MAPTKMT2ACYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019378-B1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2004-09-29 EP disclosed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 US disclosed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 US disclosed
EP-0925063-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2000-12-27 EP disclosed
US-6121282-A 3-(CARBOXY, AMIDO, CYANO, OR HYDROXYAMINOCARBONYL)-6 OR 7-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-09-19 US disclosed
EP-0925063-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-06-30 EP disclosed
WO-1998000137-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed