SCHEMBL9401148

SCHEMBL9401148

CCN(C(C)=O)c1c(Cc2cccc3ccccc23)[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GSK3B P49841 1/20 0.38
ADK P55263 1/20 0.38
CDYL Q9Y232 1/20 0.37
MTNR1A P48039 1/20 0.37
HTR6 P50406 1/20 0.36
POLB P06746 1/20 0.36
P2RX3 P56373 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35

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 0.83 MTNR1A (0.51) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9401133 0.80 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4EUSP2
SCHEMBL9401142 0.77 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9401143 0.71 KDM4E (0.53) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9302872 0.71 MTNR1A (0.71) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL9298691 0.69 AHR (0.66) ALDH1A1P2RX3
SCHEMBL3255855 0.69 SIGMAR1 (0.62) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9401169 0.68 MTNR1A (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL7321937 0.66 MEN1 (0.49) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL11703717 0.65 KDM4E (0.50) KMT2AMEN1ALDH1A1KDM4EUSP2

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