SCHEMBL7937164

SCHEMBL7937164

COc1ccc(-c2ccc3ccccc3c2Oc2ccc(NC(=O)CBr)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.47
PLAU P00749 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NQO2 P16083 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MAPT P10636 3/20 0.41
DHODH Q02127 3/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 1/20 0.40
CTSD P07339 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
SCHEMBL7937751 0.89 KMT2A (0.47) MTNR1BKDM4EALDH1A1KMT2ANPC1
SCHEMBL7935128 0.87 MTNR1B (0.49) MTNR1BPLAUKMT2AMAPTMEN1
SCHEMBL7938151 0.82 PLAU (0.42) MTNR1BPLAUKMT2AMEN1KDR
SCHEMBL7940421 0.81 KDR (0.48) MTNR1BPLAUKDR
SCHEMBL7940509 0.80 MTNR1B (0.50) MTNR1BPLAUKMT2AMAPT
SCHEMBL7935093 0.80 MTNR1B (0.53) MTNR1BPLAUALDH1A1KMT2ANPC1
SCHEMBL7937975 0.78 MEN1 (0.47) KDM4EALDH1A1KMT2AGAANPC1
SCHEMBL7928941 0.78 RNF4 (0.51) MTNR1BPLAUALDH1A1KMT2AMEN1
SCHEMBL7935140 0.76 MTNR1B (0.55) MTNR1BPLAUKMT2AMEN1
SCHEMBL7937699 0.76 ABCG2 (0.49) KDM4EALDH1A1KMT2ANPC1RAB9A

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