SCHEMBL4599375

SCHEMBL4599375

COc1ccc(CNc2[c]ccc(Br)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
GAA P10253 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
PKM P14618 1/20 0.41
NCF1 P14598 1/20 0.40
MAP2K4 P45985 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL4599593 0.82 MAP2K4 (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4598985 0.82 HTT (0.48) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL10659609 0.82 MAPT (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4599436 0.81 APLNR (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4599182 0.80 HTT (0.43) KMT2ALMNAHTTSMN1; SMN2
SCHEMBL7228990 0.77 HTT (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4600239 0.77 KMT2A (0.60) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4599932 0.76 BCHE (0.53) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL15824736 0.73 MEN1 (0.59) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14808999 0.73 MAPT (0.67) MAPTMEN1KMT2ANPC1RAB9A

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-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed