SCHEMBL4707874

SCHEMBL4707874

O=Cc1onc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.35
TSHR P16473 3/20 0.35
KMT2A Q03164 5/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 4/20 0.34
NLRP3 Q96P20 1/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 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
SCHEMBL4637694 0.90 EPAS1 (0.39) EPAS1MAPTGAAALDH1A1L3MBTL1
SCHEMBL4637876 0.90 EPAS1 (0.39) EPAS1MAPTGAAALDH1A1L3MBTL1
SCHEMBL4637845 0.90 EPAS1 (0.41) EPAS1MAPTGAAALDH1A1L3MBTL1
SCHEMBL4638045 0.89 EPAS1 (0.39) EPAS1MAPTGAAALDH1A1L3MBTL1
SCHEMBL4639395 0.88 EPAS1 (0.40) EPAS1MAPTGAAALDH1A1L3MBTL1
SCHEMBL4705752 0.88 ALDH1A1 (0.33) EPAS1MAPTGAAALDH1A1L3MBTL1
SCHEMBL4637796 0.87 EPAS1 (0.39) EPAS1MAPTGAAALDH1A1L3MBTL1
SCHEMBL4638634 0.86 ALDH1A1 (0.39) EPAS1MAPTGAAALDH1A1L3MBTL1
SCHEMBL4707466 0.85 TACR1 (0.32) EPAS1MAPTGAAALDH1A1L3MBTL1
SCHEMBL4638837 0.85 ALDH1A1 (0.38) EPAS1MAPTGAAALDH1A1L3MBTL1

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-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed