SCHEMBL9401166

SCHEMBL9401166

CCCC(=O)Nc1c(Cc2ccccc2)[nH]c2ccc(OC)cc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.58
MTNR1B P49286 5/20 0.58
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HIF1A Q16665 2/20 0.54
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 3/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL9401139 0.87 ALDH1A1 (0.54) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL9401124 0.84 ALDH1A1 (0.57) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8805832 0.76 MTNR1A (0.63) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL9401135 0.76 ALDH1A1 (0.57) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL10444002 0.75 MTNR1A (0.67) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL9401169 0.74 MTNR1A (0.58) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8805501 0.74 MTNR1A (0.60) MTNR1AMTNR1BKDM4EALDH1A1MEN1
SCHEMBL9304037 0.73 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8802574 0.70 MTNR1A (0.67) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL28680395 0.69 MTNR1A (0.56) MTNR1AMTNR1BKDM4EALDH1A1HPGD

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
US-5314908-A Compounds useful as antiproliferative agents WHITBY RESEARCH, INC. (US) 1994-05-24 US disclosed
EP-0549916-A2 Compounds useful as antiproliferative agents WHITBY RESEARCH, Inc. (US) 1993-07-07 EP disclosed
US-5206377-A Compounds useful as antiproliferative agents WHITBY RESEARCH, INC. (US) 1993-04-27 US disclosed