SCHEMBL11246023

SCHEMBL11246023

COC(=O)c1cccc(F)c1-c1nc(Br)c(C(F)(F)F)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
DHODH Q02127 1/20 0.36
SOS1 Q07889 1/20 0.36
KMT2A Q03164 4/20 0.36
SDHB P21912 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34
PTK2B Q14289 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL11260762 0.84 DHODH (0.38) DHODHKDM4EHPGD
SCHEMBL11244777 0.80 MAPK14 (0.38)
SCHEMBL11251007 0.79 SOS1 (0.40) SOS1SDHBALDH1A1MAPTHTT
SCHEMBL11260965 0.79 NOTUM (0.45) PDK2SOS1ALDH1A1MAPTHTT
SCHEMBL11240936 0.78 SOS1 (0.40) SOS1SDHBALDH1A1MAPTHTT
SCHEMBL11260601 0.77 SOS1 (0.41) SOS1SDHBALDH1A1HTTKDM4E
SCHEMBL11247663 0.76 PTGES (0.40)
SCHEMBL11249142 0.76 NOTUM (0.39) SOS1SDHBALDH1A1MAPTHTT
SCHEMBL11255135 0.76 NOTUM (0.44) PDK2SOS1KMT2AALDH1A1HTT
SCHEMBL11247552 0.75 TRPA1 (0.43)

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-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed