SCHEMBL16865184

SCHEMBL16865184

C=Cc1ccc(COC(=O)C2(C#N)CC2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP17A1 P05093 2/20 0.35
CYP19A1 P11511 2/20 0.35
CTSC P53634 1/20 0.35
HIF1A Q16665 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ABL1 P00519 1/20 0.30
TSHR P16473 1/20 0.30
RIN1 Q13671 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL16865156 0.79 CYP17A1 (0.39) MEN1KMT2ACYP17A1CYP19A1HIF1A
SCHEMBL16865212 0.72 CYP17A1 (0.37) MEN1KMT2ACYP17A1CYP19A1HIF1A
SCHEMBL16865166 0.70 NPC1 (0.38) MEN1KMT2AGAAMAPTTDP1
SCHEMBL14435631 0.70 ALDH1A1 (0.36) MEN1KMT2AGAAMAPTTSHR
SCHEMBL1051823 0.70 ALDH1A1 (0.58) MEN1KMT2AHIF1AMAPTTAS1R3
SCHEMBL22981515 0.70 MEN1 (0.38) MEN1KMT2ACTSCCTSLCTSS
SCHEMBL26417034 0.70 ALDH1A1 (0.44) MEN1KMT2AMAPTTAS1R3TAS1R1
SCHEMBL15505264 0.69 MEN1 (0.42) MEN1KMT2AHIF1AMAPTTAS1R3
SCHEMBL14944204 0.68 AKR1B10 (0.42) MEN1KMT2AMAPTTAS1R3TAS1R1
SCHEMBL12061030 0.68 MEN1 (0.46) MEN1KMT2AHIF1AMAPTTAS1R3

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
US-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed