SCHEMBL16959683

SCHEMBL16959683

C=Cc1cc(C#N)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RAD51 Q06609 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CXCR2 P25025 2/20 0.33
▸ CXCR1 P25024 1/20 0.33
▸ CYP2A6 P11509 2/20 0.32
▸ IMPDH2 P12268 1/20 0.32
▸ IMPDH1 P20839 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32

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
SCHEMBL31750154 0.84 MEN1 (0.42) MEN1TTRALBKMT2ARAD51
SCHEMBL28874965 0.81 PARP15 (0.41) MEN1KMT2ACA12CA2CA9
SCHEMBL16951597 0.80 MEN1 (0.42) MEN1TTRALBKMT2ARAD51
SCHEMBL1351408 0.80 RAD51 (0.42) MEN1TTRALBKMT2ARAD51
SCHEMBL16960777 0.78 IMPDH2 (0.37) RAD51CYP2A6IMPDH2IMPDH1ALDH1A1
SCHEMBL4774403 0.77 HRH4 (0.41) MEN1TTRALBKMT2ARAD51
SCHEMBL4774408 0.77 HRH4 (0.41) MEN1TTRALBKMT2ARAD51
SCHEMBL2693856 0.76 KIF11 (0.36) RAD51CYP2A6IMPDH2IMPDH1ALDH1A1
SCHEMBL16955487 0.76 VCAM1 (0.49) RAD51MAOAMAOBCYP2A6IMPDH2
SCHEMBL16953034 0.76 CYP2A6 (0.41) MEN1KMT2ARAD51CYP2A6IMPDH2

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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