SCHEMBL9686334

SCHEMBL9686334

O=C(CBr)Nc1ccc(Cl)cc1C(=O)c1cc[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 3/20 0.46
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45

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
SCHEMBL11538033 0.82 SMN1; SMN2 (0.69) MAPTSMN1; SMN2KDM4ECYP1A2MEN1
SCHEMBL11452911 0.82 MAPT (0.63) MAPTSMN1; SMN2KDM4ECYP1A2MEN1
SCHEMBL31048907 0.82 SMN1; SMN2 (0.69) MAPTSMN1; SMN2KDM4ECYP1A2MEN1
SCHEMBL8482804 0.77 KDM4E (0.64) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11631012 0.76 SMN1; SMN2 (0.47) MAPTSMN1; SMN2KDM4ECYP1A2MEN1
SCHEMBL10813064 0.75 GABRP (0.76) MAPTSMN1; SMN2KDM4ECYP1A2L3MBTL1
SCHEMBL10112873 0.75 ALDH1A1 (0.50) MAPTSMN1; SMN2KDM4ECYP1A2MEN1
SCHEMBL9686042 0.74 SMN1; SMN2 (0.50) MAPTSMN1; SMN2KDM4ECYP1A2L3MBTL1
SCHEMBL7328152 0.73 GABRP (0.57) MAPTSMN1; SMN2KDM4ECYP1A2L3MBTL1
SCHEMBL30556513 0.73 RXFP1 (0.53) MAPTSMN1; SMN2KDM4ECYP1A2MEN1

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