SCHEMBL9989235

SCHEMBL9989235

CC(CC(N)=O)(c1ccccc1)c1cnoc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
KIF11 P52732 1/20 0.33
HTT P42858 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL362442 0.83 KMT2A (0.55) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL2202824 0.77 KMT2A (0.46) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL7335521 0.77 ALDH1A1 (0.49) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL9989231 0.74 CHRM3 (0.42) MAPTKMT2ACYP2D6HTTLMNA
SCHEMBL9989241 0.73 MAPT (0.39) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL11715175 0.70 CYP2C19 (0.59) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL2813766 0.69 MAPT (0.55) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL4098442 0.69 CYP2C19 (0.69) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL9398515 0.68 ESR1 (0.55) HIF1ALMNACYP3A4
SCHEMBL5084151 0.68 KMT2A (0.53) MAPTKMT2ACYP2C19HIF1ACYP1A2

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