SCHEMBL4669644

SCHEMBL4669644

CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N=C2

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.97
KMT2A Q03164 9/20 0.97
ALDH1A1 P00352 7/20 0.97
SMN1; SMN2 Q16637 4/20 0.97
MAPT P10636 3/20 0.97
KDM4E B2RXH2 3/20 0.97
TP53 P04637 2/20 0.97
CASP1 P29466 2/20 0.97
CASP7 P55210 2/20 0.97
TSHR P16473 2/20 0.57
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL12563147 0.76 ALDH1A1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL12563150 0.70 MEN1 (0.82) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL12563195 0.68 SMN1; SMN2 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4294439 0.66 MEN1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL28060192 0.65 MEN1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL16306321 0.64 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2876692 0.63 ALDH1A1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL21910776 0.63 PDK2 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL9822778 0.63 MEN1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL29538504 0.62 MEN1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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
EP-1937272-A2 BENZODIAZEPINES AS HCV INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2008-07-02 EP disclosed
WO-2007026024-A2 BENZODIAZEPINES AS HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-03-08 WO disclosed