SCHEMBL9401142

SCHEMBL9401142

CCN(C(C)=O)c1c(Cc2ccc(OC)cc2)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 1/20 0.47
MET P08581 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ALOX5 P09917 1/20 0.44
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
FPR1 P21462 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 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
SCHEMBL9401130 0.88 MTNR1A (0.51) KMT2AALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL9401133 0.87 KMT2A (0.43) KMT2AALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL9401169 0.87 MTNR1A (0.58) KMT2AALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL9401148 0.77 KMT2A (0.40) KMT2AALDH1A1MTNR1AMEN1KDM4E
SCHEMBL7692306 0.74 KDM4E (0.56) KMT2AALDH1A1METMTNR1AMTNR1B
SCHEMBL9401139 0.73 ALDH1A1 (0.54) KMT2AALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL9751553 0.72 MTNR1A (0.79) KMT2AALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL11493601 0.71 MAPT (0.52) KMT2AALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL9401128 0.70 MTNR1A (0.64) KMT2AALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL9401123 0.70 KDM4E (0.44) KMT2AALDH1A1METMTNR1AMTNR1B

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