SCHEMBL8932263

SCHEMBL8932263

Cn1nc(C(F)F)cc1C(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KCNT1 Q5JUK3 1/20 0.31
PDE4B Q07343 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CTSV O60911 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL27788389 0.85 ALDH1A1 (0.44) BACE1KDM4EGRNSORT1GAA
SCHEMBL19556297 0.84 KDM4E (0.51) BACE1KDM4EGRNSORT1GAA
SCHEMBL26719095 0.84 KDM4E (0.36) BACE1KDM4EGRNSORT1GAA
SCHEMBL30900594 0.82 BACE1 (0.36) BACE1KDM4EGRNSORT1GAA
Hydrochloric Acid SCHEMBL8932264 0.82 KDM4E (0.50) BACE1KDM4EGRNSORT1GAA
SCHEMBL19556332 0.79 CA12 (0.40) BACE1KDM4EGAALMNASMN1; SMN2
SCHEMBL19994230 0.76 SMN1; SMN2 (0.48) KDM4EGAALMNASMN1; SMN2MEN1
SCHEMBL16941985 0.73 MEN1 (0.45) KDM4EGRNSORT1LMNASMN1; SMN2
SCHEMBL3058674 0.73 KDM4E (0.39) KDM4EGRNSORT1LMNASMN1; SMN2
SCHEMBL387324 0.73 SMN1; SMN2 (0.46) KDM4EGRNSORT1GAALMNA

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-5498624-A PLANT FUNGICIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed