SCHEMBL27902181

SCHEMBL27902181

CC(Br)c1cc(Br)cc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.38
ALB P02768 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GSK3B P49841 1/20 0.33
PGR P06401 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GLA P06280 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
SCHEMBL16962481 0.82 TTR (0.36) TTRALBMEN1KMT2AGABRA1
SCHEMBL24337481 0.79 TTR (0.38) TTRALBMEN1KMT2AGABRA1
SCHEMBL27851618 0.78 CNR1 (0.36)
SCHEMBL27868545 0.78 GRM5 (0.36) PGR
SCHEMBL18093834 0.78 GABRA1 (0.39) GABRA1GABRB1
SCHEMBL31668166 0.78 GABRA1 (0.39) GABRA1GABRB1
SCHEMBL2058684 0.76 GSK3B (0.47) GSK3BGLA
SCHEMBL30583585 0.76 GSK3B (0.47) GSK3BGLA
SCHEMBL28002676 0.76 MEN1 (0.34) TTRALBMEN1KMT2AGSK3B
SCHEMBL200313 0.75 TTR (0.52) TTRALBMEN1KMT2APGR

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
CN-103380133-A Compounds and their use as BACE inhibitors ASTRAZENECA AB 2013-10-30 CN disclosed
CN-102858760-A Glycine chroman-6-sulfonamides for use as inhibitors of diacylglycerol lipase BRISTOL MYERS SQUIBB CO 2013-01-02 CN disclosed