SCHEMBL9686042

SCHEMBL9686042

Cc1ccc(C(=O)c2cc(Cl)ccc2NC(=O)CBr)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP1A2 P05177 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44

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
SCHEMBL9686366 0.88 SMN1; SMN2 (0.65) SMN1; SMN2MAPTKDM4ECYP1A2L3MBTL1
SCHEMBL9686216 0.77 SMN1; SMN2 (0.55) SMN1; SMN2MAPTKDM4ECYP1A2L3MBTL1
SCHEMBL9518790 0.77 MAPT (0.49) SMN1; SMN2MAPTKDM4ECYP1A2L3MBTL1
SCHEMBL8482804 0.76 KDM4E (0.64) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL31048907 0.76 SMN1; SMN2 (0.69) SMN1; SMN2MAPTKDM4ECYP1A2TP53
SCHEMBL11452911 0.76 MAPT (0.63) SMN1; SMN2MAPTKDM4ECYP1A2TP53
SCHEMBL11538033 0.76 SMN1; SMN2 (0.69) SMN1; SMN2MAPTKDM4ECYP1A2TP53
SCHEMBL30556513 0.75 RXFP1 (0.53) SMN1; SMN2MAPTKDM4ECYP1A2ALDH1A1
SCHEMBL10813064 0.74 GABRP (0.76) SMN1; SMN2MAPTKDM4ECYP1A2L3MBTL1
SCHEMBL9686334 0.74 MAPT (0.48) SMN1; SMN2MAPTKDM4ECYP1A2L3MBTL1

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
EP-0491218-A1 Benzodiazepinones F. HOFFMANN-LA ROCHE AG (CH) 1992-06-24 EP disclosed