SCHEMBL7937022

SCHEMBL7937022

COc1ccc2c(Oc3ccc(N)cc3)c(-c3ccc(OC)c(OC)c3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
DHFR P00374 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
KIT P10721 2/20 0.41
CYP19A1 P11511 1/20 0.41
RAD52 P43351 1/20 0.41
ACHE P22303 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 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
SCHEMBL7928746 0.90 DHFR (0.41) DHFRNPC1RAB9AMEN1ALDH1A1
SCHEMBL7935076 0.90 ESR1 (0.40) DHFRCYP19A1GSTP1SMN1; SMN2APP
SCHEMBL7928761 0.90 DHFR (0.39) DHFRALDH1A1CYP19A1GSTP1SMN1; SMN2
SCHEMBL7937985 0.90 DHFR (0.41) DHFRCYP19A1GSTP1SMN1; SMN2APP
SCHEMBL7934940 0.89 SMN1; SMN2 (0.45) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL7937975 0.88 MEN1 (0.47) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL7940249 0.85 SMN1; SMN2 (0.52) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL7189972 0.85 MAPT (0.44) MAPTNPC1RAB9AALDH1A1RAD52
SCHEMBL7937708 0.81 SMN1; SMN2 (0.45) CYP19A1SMN1; SMN2APPRELA
SCHEMBL3115783 0.80 PTGS2 (0.56) MAPTKDM4EALDH1A1

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