SCHEMBL6872247

SCHEMBL6872247

Cc1cc(Cl)c2cc(Br)c(OCc3ccccc3)cc2n1.Cc1cc(O)c2cc(Br)c(OCc3ccccc3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
RHEB Q15382 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
STAT3 P40763 1/20 0.40
LMNA P02545 3/20 0.39
MAPK14 Q16539 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37
MAOB P27338 2/20 0.37
PTGES O14684 1/20 0.37
ADAM17 P78536 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
ELANE P08246 1/20 0.36
GCK P35557 1/20 0.36

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
SCHEMBL5532256 0.93 SMN1; SMN2 (0.45) MAPTRHEBSMN1; SMN2HTTSTAT3
SCHEMBL5521439 0.93 MAPT (0.50) MAPTRHEBSMN1; SMN2HTTSTAT3
SCHEMBL5033252 0.79 MAPT (0.50) MAPTRHEBSMN1; SMN2HTTSTAT3
SCHEMBL18497724 0.75 MAPT (0.45) MAPTRHEBSMN1; SMN2HTTSTAT3
SCHEMBL5513297 0.74 NCF1 (0.54) SMN1; SMN2HTTSTAT3LMNARAB9A
SCHEMBL18497755 0.74 CNR1 (0.45) MAPTSMN1; SMN2RAB9AKDM4EMEN1
SCHEMBL3645761 0.74 MAOB (0.51) SMN1; SMN2LMNARAB9AMAOBKDM4E
SCHEMBL3646897 0.74 MAPT (0.55) MAPTSMN1; SMN2LMNAL3MBTL1RAB9A
SCHEMBL5042843 0.73 CYP3A4 (0.51) MAPTLMNARAB9AMAOBMEN1
SCHEMBL5033238 0.73 MAPT (0.54) MAPTLMNARAB9AMAOBMEN1

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-1432421-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2004-06-30 EP disclosed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 WO disclosed