SCHEMBL9951567

SCHEMBL9951567

CC#CCc1cncc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM5 P41594 1/20 0.34
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PYCR1 P32322 1/20 0.33
TACR1 P25103 2/20 0.32
SLC6A4 P31645 2/20 0.32
KCNH2 Q12809 2/20 0.32
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2A6 P11509 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL1502549 0.76 CYP11B2 (0.44) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL8486575 0.76 POLB (0.35) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL9952165 0.73 ENPP2 (0.34)
SCHEMBL30895742 0.73
SCHEMBL670394 0.73
SCHEMBL16508616 0.72 HTT (0.38) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL3183730 0.70
SCHEMBL931245 0.69 GRM5 (0.51) HTTMAPTSMN1; SMN2GRM5POLB
SCHEMBL17048233 0.69 HTT (0.42) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL27314697 0.69 MAPT (0.36) HTTMAPTSMN1; SMN2POLBHCAR2

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-2655378-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS AstraZeneca AB (SE) 2013-10-30 EP disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 WO disclosed