SCHEMBL8629522

SCHEMBL8629522

Cc1cc(OCC(F)(F)F)nc(-c2ccccc2NC(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
LMNA P02545 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MEN1 O00255 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL8627986 0.89 MRGPRX1 (0.40) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL8540029 0.82 MAPT (0.48) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL8629943 0.80 MAPT (0.50) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL8628783 0.80 RAB9A (0.49) MAPTLMNAALDH1A1HTTATM
SCHEMBL8628976 0.79 ALDH1A1 (0.47) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL8626823 0.79 MAPT (0.64) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL8630926 0.75 MAPT (0.40) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL8626602 0.75 ALDH1A1 (0.49) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL8628972 0.75 ALDH1A1 (0.44) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL5193130 0.75 MAPT (0.48) MAPTLMNAALDH1A1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed