SCHEMBL14106977

SCHEMBL14106977

CC1(C)CC(=O)C2=C(C1)Nc1cnccc1N(C(=O)CC(=O)O)C2c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL14107080 0.93 KDM4E (0.49) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL14106976 0.90 KDM4E (0.49) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL4744098 0.89 MEN1 (0.48) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL14107088 0.89 MEN1 (0.48) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL14107085 0.89 MEN1 (0.48) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL13704088 0.88 KDM4E (0.53) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL14107096 0.87 KDM4E (0.46) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL14103321 0.82 MEN1 (0.43) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL14106957 0.82 MEN1 (0.47) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL14107074 0.81 KMT2A (0.42) KDM4EHSD17B10MEN1KMT2AALDH1A1

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