SCHEMBL4638545

SCHEMBL4638545

CC(C)(C)[Si](C)(C)OCCc1onc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPAS1 Q99814 3/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 3/20 0.34
NLRP3 Q96P20 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TACR1 P25103 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.32
USP2 O75604 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL4637922 0.94 TACR1 (0.36) ALDH1A1EPAS1MAPTTSHRNLRP3
SCHEMBL4672009 0.93 ALDH1A1 (0.35) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4637945 0.89 EPAS1 (0.37) ALDH1A1EPAS1MAPTTSHRNLRP3
SCHEMBL4637694 0.88 EPAS1 (0.39) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4637876 0.88 EPAS1 (0.39) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4638045 0.87 EPAS1 (0.39) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4637796 0.87 EPAS1 (0.39) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4639398 0.86 KMT2A (0.37) ALDH1A1TDP1L3MBTL1MAPTTSHR
SCHEMBL4637843 0.86 GPBAR1 (0.38) ALDH1A1L3MBTL1EPAS1MAPTTSHR
SCHEMBL4639495 0.86 TACR1 (0.31) ALDH1A1TDP1L3MBTL1MAPTTSHR

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
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed