SCHEMBL20008304

SCHEMBL20008304

C/C=C(C)\C(CC)=N/C=C/c1cc(C)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 3/20 0.37
SIGMAR1 Q99720 2/20 0.35
GABRA1 P14867 1/20 0.35
LMNA P02545 3/20 0.34
ALOX12 P18054 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 5/20 0.32
SLC9A3 P48764 2/20 0.31
SLC9A1 P19634 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
SCHEMBL16938474 0.68 ALOX5 (0.49) ALOX5PTGS1PTGS2ALDH1A1LMNA
SCHEMBL11790340 0.66 ALOX5 (0.55) ALOX5PTGS1PTGS2ALDH1A1LMNA
SCHEMBL11790300 0.66 ALOX5 (0.55) ALOX5PTGS1PTGS2ALDH1A1LMNA
SCHEMBL23015440 0.66 ALOX5 (0.43) ALOX5PTGS1PTGS2ALDH1A1GABRA1
SCHEMBL9211398 0.66 ALOX5 (0.50) ALOX5PTGS1PTGS2ALDH1A1LMNA
SCHEMBL9211406 0.66 ALOX5 (0.50) ALOX5PTGS1PTGS2ALDH1A1LMNA
SCHEMBL11860086 0.65 ALOX5 (0.53) ALOX5PTGS1PTGS2ALDH1A1LMNA
SCHEMBL11860111 0.65 ALOX5 (0.53) ALOX5PTGS1PTGS2ALDH1A1LMNA
SCHEMBL11333581 0.64 ALOX5 (0.49) ALOX5PTGS1PTGS2ALDH1A1LMNA
SCHEMBL11333577 0.64 ALOX5 (0.49) ALOX5PTGS1PTGS2ALDH1A1LMNA

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed