SCHEMBL6595335

SCHEMBL6595335

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP19A1 P11511 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43
GRK2 P25098 1/20 0.43
S100A4 P26447 1/20 0.43
CASP6 P55212 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
CCR5 P51681 2/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL6595337 1.00 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2CYP19A1KDM4E
SCHEMBL48068 0.88 CYP19A1 (0.49) ALDH1A1MAPTSMN1; SMN2CYP19A1MAPK1
SCHEMBL48069 0.88 CYP19A1 (0.49) ALDH1A1MAPTSMN1; SMN2CYP19A1MAPK1
SCHEMBL29570634 0.87 MITF (0.45) ALDH1A1MAPTCYP19A1MEN1POLB
SCHEMBL10633557 0.86 PTGDR2 (0.49) MAPTSMN1; SMN2CYP19A1MAPK1MEN1
SCHEMBL3036335 0.85 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2CYP19A1MAPK1
SCHEMBL7414457 0.85 CYP19A1 (0.55) ALDH1A1MAPTSMN1; SMN2CYP19A1MAPK1
SCHEMBL7415724 0.85 CYP19A1 (0.55) ALDH1A1MAPTSMN1; SMN2CYP19A1MAPK1
SCHEMBL6592271 0.84 MMP1 (0.42) MAPTSMN1; SMN2CYP19A1MEN1POLB
SCHEMBL6592281 0.84 MMP1 (0.42) MAPTSMN1; SMN2CYP19A1MEN1POLB

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 8 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-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 US disclosed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 US disclosed
EP-1019378-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2001-09-26 EP disclosed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 US 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-1019378-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1998000403-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed