SCHEMBL1700982

SCHEMBL1700982

CCc1cc(C(Br)C=O)cs1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10141583 0.72 DAO (0.44) DAORAB9ATP53USP2SMN1; SMN2
SCHEMBL27992675 0.68 DAO (0.58) DAOTP53LMNAALDH1A1
SCHEMBL5447840 0.67
SCHEMBL29256493 0.67 DAO (0.43) DAORAB9ATP53USP2SMN1; SMN2
SCHEMBL5801700 0.66 ERN1 (0.38) ALDH1A1
SCHEMBL16212189 0.66 MAPK1 (0.45) RAB9ATP53SMN1; SMN2MAPTMAPK1
SCHEMBL256012 0.65
SCHEMBL4633358 0.64 CYP3A4 (0.39) RAB9ATP53SMN1; SMN2MAPTMAPK1
SCHEMBL17428955 0.64 LMNA (0.45) DAORAB9ATP53SMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL2216424 0.63

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-2585459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed