SCHEMBL4539907

SCHEMBL4539907

COC(=O)c1cccn1-c1ccc(C(F)(F)F)cc1C#C[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.38
MAPT P10636 4/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL4542173 0.84 CFTR (0.40) CFTRMAPTLMNAMEN1KMT2A
SCHEMBL4541733 0.78 CFTR (0.43) CFTRMAPTLMNAMEN1KMT2A
SCHEMBL4542999 0.78 CFTR (0.42) CFTRMAPTLMNAMEN1KMT2A
SCHEMBL4544013 0.69 LDHA (0.40) CFTRMAPTLMNATSHRCYP3A4
SCHEMBL15523818 0.69 MEN1 (0.39) CFTRMAPTLMNAMEN1KMT2A
SCHEMBL4542130 0.69 LMNA (0.40) MAPTLMNAKMT2AHTTCYP3A4
SCHEMBL4540292 0.69 MAPT (0.64) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4540140 0.68 MAPT (0.50) MAPTLMNAMEN1KMT2AHTT
SCHEMBL27267252 0.68 CFTR (0.47) CFTRMAPTALDH1A1GAAMRGPRX4
SCHEMBL21258112 0.67 NPC1 (0.40) MAPTMEN1KMT2AALDH1A1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed