SCHEMBL7937717

SCHEMBL7937717

COc1cccc(-c2ccc3ccccc3c2Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.49
MAOB P27338 1/20 0.47
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CASP3 P42574 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
SENP7 Q9BQF6 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ALDH1A1 P00352 2/20 0.41
APP P05067 1/20 0.41
BRD4 O60885 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 3/20 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
SCHEMBL7928854 0.92 MAOB (0.47) ABCG2MAOBNPC1SMN1; SMN2CASP3
SCHEMBL7937699 0.86 ABCG2 (0.49) ABCG2NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL7935034 0.84 PLAU (0.40) ABCG2MAOBNPC1SMN1; SMN2CASP3
SCHEMBL7937733 0.83 MAPT (0.43) ABCG2NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL6050235 0.82 MIF (0.46) NPC1RAB9ACYP1A1CYP1A2CYP1B1
SCHEMBL7928856 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MAPTGAACYP1A1CYP1A2
SCHEMBL6050365 0.82 CYP1A2 (0.43) ABCG2MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL7937836 0.81 APP (0.48) MAOBNPC1SMN1; SMN2RAB9ALMNA
SCHEMBL8500385 0.78 TDP1 (0.47) MAPTCYP1A1CYP1A2CYP1B1BRD4
SCHEMBL7940260 0.78 TLR9 (0.42) MAOBMAPTGAAAPPHPGD

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