SCHEMBL30954040

SCHEMBL30954040

COC(=O)c1c(F)cc([N+](=O)[O-])cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
HTT P42858 4/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.44
SLC6A3 Q01959 1/20 0.40
ALOX5 P09917 1/20 0.40
LMNA P02545 1/20 0.40
SLC6A4 P31645 1/20 0.40
TSHR P16473 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
SCHEMBL15727819 0.89 HTT (0.43) SMN1; SMN2KMT2AMEN1HTTGAA
SCHEMBL30353758 0.81 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1HTTGAA
SCHEMBL15081285 0.81 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1HTTGAA
SCHEMBL28306231 0.80 ALDH1A1 (0.44) SMN1; SMN2KMT2AMEN1HTTGAA
SCHEMBL9762646 0.80 KMT2A (0.59) SMN1; SMN2KMT2AMEN1HTTGAA
SCHEMBL27484194 0.80 MEN1 (0.50) SMN1; SMN2KMT2AMEN1HTTGAA
SCHEMBL31509456 0.79 MAPK1 (0.47) SMN1; SMN2KMT2AMEN1HTTMAPT
SCHEMBL3720601 0.79 ALDH1A1 (0.43) SMN1; SMN2KMT2AMEN1HTTGAA
SCHEMBL3720610 0.79 ALDH1A1 (0.43) SMN1; SMN2KMT2AMEN1HTTGAA
SCHEMBL29607722 0.79 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1HTTGAA

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
WO-2024137984-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed