SCHEMBL24254435

SCHEMBL24254435

COC(C)c1ccc(C#N)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 3/20 0.33
FFAR1 O14842 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
ESRRA P11474 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
SNCA P37840 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GUSB P08236 2/20 0.30
TBXA2R P21731 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
SCHEMBL17923726 0.86 AR (0.33) MEN1TTRALBKMT2AAR
SCHEMBL12251119 0.82 MEN1 (0.42) MEN1TTRALBKMT2AFFAR1
SCHEMBL28794938 0.80 MEN1 (0.41) MEN1TTRALBKMT2AFFAR1
SCHEMBL22898006 0.79 ALDH1A1 (0.38) ARALDH1A1CYP2A6EGLN2TRPV4
SCHEMBL29559688 0.79 ALDH1A1 (0.38) ARALDH1A1CYP2A6EGLN2TRPV4
SCHEMBL6796667 0.79 MEN1 (0.44) MEN1TTRALBKMT2AFFAR1
SCHEMBL22604363 0.76 CYP2A6 (0.37) MEN1TTRALBKMT2AFFAR1
SCHEMBL9931297 0.76 MEN1 (0.43) MEN1TTRALBKMT2AHTT
SCHEMBL29865001 0.76 MEN1 (0.43) MEN1TTRALBKMT2AHTT
SCHEMBL6796590 0.75 FFAR1 (0.33) MEN1KMT2AFFAR1ALDH1A1CYP11B2

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
WO-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed