SCHEMBL8150226

SCHEMBL8150226

C=Cc1cccc(C#N)c1Br

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
DRD2 P14416 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCL1 Q07820 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL16961863 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL16953352 0.80 LMNA (0.38) LMNAALDH1A1TSHRHTTDYRK1A
SCHEMBL6219922 0.80 LMNA (0.41) LMNAALDH1A1TSHRHTTDYRK1A
SCHEMBL183840 0.79 TSHR (0.44) LMNAALDH1A1TSHRHTTKDM4E
SCHEMBL30536365 0.79 TSHR (0.44) LMNAALDH1A1TSHRHTTKDM4E
SCHEMBL16961865 0.78 ALDH1A1 (0.46) LMNAALDH1A1TSHR
SCHEMBL832 0.78 TSHR (0.46) LMNAALDH1A1TSHRHTTDYRK1A
SCHEMBL16958520 0.78 ALDH1A1 (0.35) LMNAALDH1A1TSHRHTTKDM4E
SCHEMBL60842 0.78 SMN1; SMN2 (0.37) LMNAALDH1A1TSHRHTTKDM4E
Benzene SCHEMBL28861778 0.77 TSHR (0.43) ALDH1A1TSHRHTTKDM4ECA1

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 6 patents. 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
EP-0641794-B1 Thienyl- and furylpyrrole derivatives, their preparation and their use as insecticides and acaricides AMERICAN CYANAMID CO (US) 2000-10-11 EP disclosed
US-5563166-A Thienyl- and furylpyrrole fungicidal agents AMERICAN CYANAMID CO. (US) 1996-10-08 US disclosed
US-5492925-A PROTECTING PLANTS AMERICAN CYANAMID COMPANY (US) 1996-02-20 US disclosed
US-5480902-A Thienylpyrrole fungicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-02 US disclosed
EP-0641794-A1 Thienyl- and furylpyrrole derivatives, their preparation and their use as insecticides and acaricides AMERICAN CYANAMID COMPANY (US) 1995-03-08 EP disclosed