SCHEMBL9401130

SCHEMBL9401130

CCN(C(C)=O)c1c(Cc2ccccc2)[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 2/20 0.51
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 4/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.41
GAA P10253 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
SCHEMBL9401133 0.91 KMT2A (0.43) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL9401142 0.88 KMT2A (0.49) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL9401169 0.84 MTNR1A (0.58) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL9401148 0.83 KMT2A (0.40) MTNR1AKMT2AHPGDTDP1MEN1
SCHEMBL6768454 0.76 MTNR1A (0.59) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL5510275 0.71 KDM4E (0.56) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL4066208 0.71 ALDH1A1 (0.58) ALDH1A1
SCHEMBL18919603 0.69 TSHR (0.58) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL7497957 0.69 KMT2A (0.51) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL2087168 0.69 HPGD (0.61) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4

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 1 patent. 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