SCHEMBL7937751

SCHEMBL7937751

COc1ccc(-c2ccc3ccccc3c2Oc2ccc(NC(=O)CBr)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.44
KDR P35968 2/20 0.43
POLB P06746 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
MTNR1B P49286 2/20 0.43
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL7935128 0.90 MTNR1B (0.49) KMT2AMEN1CYP3A4MAPTPOLB
SCHEMBL7940421 0.89 KDR (0.48) KDRMTNR1BMTNR1A
SCHEMBL7937164 0.89 MTNR1B (0.47) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL7940509 0.82 MTNR1B (0.50) KMT2ACYP3A4MAPTMTNR1BMTNR1A
SCHEMBL7935093 0.82 MTNR1B (0.53) KMT2AMEN1CYP3A4ALDH1A1RAB9A
SCHEMBL7940489 0.81 MTNR1A (0.48) KMT2AMEN1CYP3A4ALDH1A1LMNA
SCHEMBL7928941 0.80 RNF4 (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL7928830 0.79 PLAU (0.47) LMNAKDRMTNR1BMTNR1AL3MBTL1
SCHEMBL7938151 0.79 PLAU (0.42) KMT2AMEN1KDRPOLBMTNR1B
SCHEMBL7935140 0.78 MTNR1B (0.55) KMT2AMEN1CYP3A4MTNR1BMTNR1A

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