SCHEMBL9376272

SCHEMBL9376272

CCC1(CC)N=C(n2ccccc2=O)c2cc(Br)ccc2O1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADK P55263 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
BACE1 P56817 1/20 0.31
GSK3B P49841 5/20 0.31
CCNB2 O95067 2/20 0.31
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNB3 Q8WWL7 2/20 0.31
NPSR1 Q6W5P4 3/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP19A1 P11511 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
SCHEMBL9372070 0.85 BACE1 (0.33) MAPTMEN1HTTRAB9AKMT2A
SCHEMBL9373191 0.84 BACE1 (0.34) BACE1KDM4E
SCHEMBL9374693 0.72 ABCC9 (0.33) BACE1
SCHEMBL8085076 0.71 NPSR1 (0.34) MAPTMEN1HTTRAB9AKMT2A
SCHEMBL10435504 0.71 KDM4E (0.36) ADKHTTKDM4ECYP19A1
SCHEMBL9376016 0.71 HRH4 (0.34) MEN1HTTRAB9AKMT2ANPSR1
SCHEMBL9372171 0.71 F10 (0.35) MAPTMEN1HTTKMT2ABACE1
SCHEMBL9372466 0.71 HSD11B1 (0.33) ADKMAPTBACE1GSK3BKDM4E
SCHEMBL9375552 0.71 CHRM1 (0.30)
SCHEMBL10435505 0.71

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-0371312-B1 Benzoxazine derivatives MERCK PATENT GMBH (DE) 1994-07-20 EP claimed