SCHEMBL4742336

SCHEMBL4742336

CC1(C)CC(=O)C=C(Nc2ncnc(O)c2N)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GLA P06280 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RECQL P46063 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
SCHEMBL4743201 0.82 ALDH1A1 (0.50) MEN1KMT2AHPGDPKMALDH1A1
SCHEMBL4742790 0.69 KMT2A (0.54) MEN1KMT2AHPGDPKMALDH1A1
SCHEMBL14102180 0.69 KMT2A (0.75) MEN1KMT2AHPGDPKMALDH1A1
SCHEMBL4740862 0.67 ALDH1A1 (0.58) MEN1KMT2AHPGDPKMALDH1A1
SCHEMBL14102109 0.67 KMT2A (0.63) MEN1KMT2AHPGDPKMALDH1A1
SCHEMBL31358249 0.67 ALDH1A1 (0.61) MEN1KMT2AHPGDPKMALDH1A1
SCHEMBL12821043 0.67 ALDH1A1 (0.61) MEN1KMT2AHPGDPKMALDH1A1
SCHEMBL13704047 0.66 ALDH1A1 (0.71) MEN1KMT2AHPGDPKMALDH1A1
SCHEMBL13704104 0.66 KDM4E (0.59) MEN1KMT2AHPGDPKMALDH1A1
SCHEMBL31358570 0.65 ALDH1A1 (0.61) MEN1KMT2AHPGDPKMALDH1A1

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
WO-2008099021-A1 DIBENZODIAZEPINONES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed
WO-2008099021-A1 DIBENZODIAZEPINONES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed