SCHEMBL7937699

SCHEMBL7937699

COc1ccc(-c2ccc3ccccc3c2Oc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.49
ABCB1 P08183 4/20 0.49
ABCC1 P33527 3/20 0.49
MAPT P10636 4/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP19A1 P11511 1/20 0.43
PTGS2 P35354 1/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL7937733 0.91 MAPT (0.43) ABCG2ABCB1ABCC1MAPTMAPK1
SCHEMBL7937717 0.86 ABCG2 (0.49) ABCG2MAPTALDH1A1KDM4EMEN1
SCHEMBL7937975 0.83 MEN1 (0.47) ABCG2ABCB1ABCC1MAPTALDH1A1
SCHEMBL7940260 0.81 TLR9 (0.42) MAPTMAPK1NPSR1ADORA3ADORA2A
SCHEMBL7940195 0.80 HSPB1 (0.46) MAPTMAPK1MEN1KMT2ACYP19A1
SCHEMBL7940253 0.80 TLR9 (0.44) MAPTMAPK1ALDH1A1KDM4EMEN1
SCHEMBL9703810 0.78 HSPB1 (0.48) MAPTMAPK1ALDH1A1KDM4EMEN1
SCHEMBL7937836 0.78 APP (0.48) MAPTMAPK1ALDH1A1KDM4EMEN1
SCHEMBL7928854 0.78 MAOB (0.47) ABCG2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL7937164 0.76 MTNR1B (0.47) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835868-B1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods LILLY CO ELI (US) 2001-08-29 EP disclosed
US-5929090-A NOVEL COMPOUNDS FOR TREATING ESTROGEN DEPRIVATION CAUSED BY MENOPAUSE OR OVARIECTOMY; TREATING OSTEOPOROSIS, CARDIOVASCULAR DISEASES, AND ENDOMETRIOSIS ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed
EP-0835868-A1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed