SCHEMBL9729255

SCHEMBL9729255

CO[C](C)Cc1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK8 P45983 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.35
GLS O94925 1/20 0.35
DNMT3B Q9UBC3 1/20 0.35
HPGD P15428 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL9729592 0.87 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AGAALMNAALDH1A1
SCHEMBL9473172 0.78 GAA (0.41) SMN1; SMN2KMT2AMAPK8GAAALDH1A1
SCHEMBL9985451 0.78 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AMAPK8GAA
SCHEMBL7633816 0.75 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AMAPK8LMNA
SCHEMBL27924459 0.74 MAPK8 (0.41) SMN1; SMN2KMT2AMAPK8GAAALDH1A1
SCHEMBL1461227 0.74 CES2 (0.44) SMN1; SMN2KMT2AMAPK8GAAALDH1A1
SCHEMBL15777690 0.73 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AMAPK8LMNA
SCHEMBL28031637 0.72 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL7374522 0.71 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AMAPK8LMNA
SCHEMBL9734281 0.69 TP53 (0.54) SMN1; SMN2MAPK8GAAALDH1A1POLB

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-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed