SCHEMBL13850100

SCHEMBL13850100

CCCCCCCc1cc(F)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.47
TYR P14679 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GHSR Q92847 1/20 0.43
LIPG Q9Y5X9 1/20 0.41
PTGS2 P35354 4/20 0.40
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 5/20 0.40
MPO P05164 1/20 0.39
PPARA Q07869 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38

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
SCHEMBL11942564 0.98 ALOX5 (0.44) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL19658854 0.92 TYR (0.44) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL15325843 0.84 F2RL1 (0.41) MAPTHTTPTGS2SLC6A2SLC6A4
SCHEMBL21392022 0.83 ALOX5 (0.49) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL20350112 0.83 TYR (0.49) ALOX5TYRMEN1TP53CYP3A4
Ammonia Solution, Strong SCHEMBL14719246 0.82 F2RL1 (0.40) MAPTHTTPTGS2SLC6A2SLC6A4
SCHEMBL13763 0.81 MPO (0.51) SLC6A2SLC6A4SLC6A3MPO
SCHEMBL3892982 0.81 TAAR1 (0.57) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL9699152 0.81 TAAR1 (0.57) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL11241677 0.81 TAAR1 (0.57) ALOX5TYRMEN1TP53CYP3A4

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-2062879-A1 Heterocyclic inhibitors of p38 Vertex Pharmceuticals Incorporated (US) 2009-05-27 EP disclosed