SCHEMBL9989241

SCHEMBL9989241

CC(Cc1ccccc1)(C(N)=O)c1cnoc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MMP8 P22894 3/20 0.33
KCNA5 P22460 1/20 0.33
NR3C2 P08235 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL2845811 0.80 MAPT (0.55) MAPTKMT2ACYP3A4CYP1A2RECQL
SCHEMBL2202821 0.77 MAPT (0.43) MAPTKMT2ACYP3A4CYP1A2RECQL
SCHEMBL9989235 0.73 MAPT (0.40) MAPTKMT2ACYP3A4CYP1A2RECQL
SCHEMBL10483819 0.71 ALOX15 (0.47) MAPTKMT2ACYP3A4CYP1A2RECQL
SCHEMBL11220671 0.70 KIF11 (0.50) MAPTKMT2ACYP3A4CYP1A2RECQL
SCHEMBL5268840 0.70 SLC6A2 (0.57) MAPTKMT2ACYP3A4CYP1A2RECQL
SCHEMBL407788 0.70 SLC6A2 (0.57) MAPTKMT2ACYP3A4CYP1A2RECQL
SCHEMBL407787 0.70 SLC6A2 (0.57) MAPTKMT2ACYP3A4CYP1A2RECQL
SCHEMBL8759 0.69 SLC6A2 (0.56) MAPTKMT2ACYP3A4CYP1A2RECQL
Hydrochloric Acid SCHEMBL28585466 0.69 SLC6A2 (0.55) MAPTKMT2ACYP3A4CYP1A2RECQL

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
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed