SCHEMBL7975919

SCHEMBL7975919

NC(=S)N(O)[C@H]1C[C@@H](c2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
KDM1A O60341 2/20 0.39
SLC9A1 P19634 1/20 0.36
SLC6A2 P23975 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR2B P41595 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ADRB2 P07550 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
MAOB P27338 3/20 0.32
PARP10 Q53GL7 1/20 0.32
ACLY P53396 1/20 0.31
MAOA P21397 1/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL7975918 1.00 ALOX5 (0.47) ALOX5KDM1ASLC9A1SLC6A2HTR2A
SCHEMBL7959780 0.83 ALOX5 (0.64) ALOX5KDM1ASLC9A1SLC6A2HTR2A
SCHEMBL7972814 0.83 ALOX5 (0.64) ALOX5KDM1ASLC9A1SLC6A2HTR2A
SCHEMBL7959777 0.83 ALOX5 (0.64) ALOX5KDM1ASLC9A1SLC6A2HTR2A
SCHEMBL7973144 0.80 MGLL (0.39) ALOX5SLC6A2SLC6A4SLC6A3
SCHEMBL7973141 0.80 MGLL (0.39) ALOX5SLC6A2SLC6A4SLC6A3
SCHEMBL9163645 0.79 ALOX5 (0.79) ALOX5PARP10
SCHEMBL9163641 0.79 ALOX5 (0.79) ALOX5PARP10
SCHEMBL7972861 0.76 ALOX5 (0.56) ALOX5KDM1ASLC9A1MAP1LC3BPARP10
SCHEMBL7959762 0.73 ALOX5 (0.53) ALOX5KDM1ASLC9A1MAP1LC3BPARP10

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
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 EP disclosed