SCHEMBL9017563

SCHEMBL9017563

COC(=O)C(I)c1c(-c2ccccc2OC)n(C)c2ccc(OC)cc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
NTRK1 P04629 2/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NQO2 P16083 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AR P10275 1/20 0.38
PLA2G2A P14555 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8648675 0.76 MTNR1A (0.55) MTNR1AMTNR1BNTRK1MAPTKDM4E
SCHEMBL8645955 0.75 LMNA (0.54) MTNR1AMTNR1BNTRK1MAPTKDM4E
SCHEMBL28426879 0.68 NTRK1 (0.60) MTNR1AMTNR1BNTRK1MAPTKDM4E
SCHEMBL9177751 0.66 EGFR (0.51) NTRK1MAPTKDM4EALDH1A1HPGD
SCHEMBL8645716 0.64 PLA2G2A (0.59) NTRK1PLA2G2A
SCHEMBL2687074 0.64 PTGS2 (0.49) MTNR1AMTNR1BMAPTKDM4EALDH1A1
SCHEMBL8649352 0.63 PLA2G2A (0.70) NTRK1MAPTKDM4EALDH1A1MEN1
SCHEMBL11266493 0.63 KDM4E (0.42) MAPTKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL17697978 0.62 DRD2 (0.56) MTNR1AMTNR1BNTRK1MAPTKDM4E
SCHEMBL30863921 0.62 ALDH1A1 (0.60) NTRK1MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746544-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1996-12-11 EP disclosed
WO-1995022524-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1995-08-24 WO disclosed