SCHEMBL8944922

SCHEMBL8944922

COC(=O)C(C)NC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.43
TSHR P16473 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
CNR1 P21554 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MLYCD O95822 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL21488593 0.83 CA2 (0.34) CA2SMN1; SMN2CNR1ALDH1A1MLYCD
SCHEMBL11537134 0.82 MAPT (0.39) CA14MEN1KMT2AMAPTL3MBTL1
SCHEMBL27897650 0.82 METAP2 (0.43) TSHR
SCHEMBL11533964 0.82 MAPT (0.39) CA14MEN1KMT2AMAPTL3MBTL1
SCHEMBL11533969 0.82 MAPT (0.39) CA14MEN1KMT2AMAPTL3MBTL1
SCHEMBL21488786 0.80 CA2 (0.32) CA2CNR1MLYCD
SCHEMBL23894861 0.80 CA14 (0.45) CA14TSHRMEN1KMT2AMAPT
SCHEMBL17130270 0.80 CA14 (0.45) CA14TSHRMEN1KMT2AMAPT
SCHEMBL17130272 0.80 CA14 (0.45) CA14TSHRMEN1KMT2AMAPT
SCHEMBL21638018 0.80 CA14 (0.45) CA14TSHRMEN1KMT2AMAPT

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-5538988-A CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS SYNTEX (U.S.A.) INC. 1996-07-23 US disclosed