SCHEMBL29615348

SCHEMBL29615348

COc1ncc(-c2ccc(C(F)(F)F)cn2)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PIK3CA P42336 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACACB O00763 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 1/20 0.37
SMO Q99835 1/20 0.37
KDM1A O60341 1/20 0.37
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL20577865 1.00 SCN9A (0.39) SCN9AALOX5APFEN1PIK3CAKDM4E
SCHEMBL20577700 0.85 KIF11 (0.45) PIK3CAKDM4ENPSR1AAK1ALDH1A1
SCHEMBL29615293 0.85 KIF11 (0.45) PIK3CAKDM4ENPSR1AAK1ALDH1A1
SCHEMBL10460598 0.82 CYP1A2 (0.40) KDM4EACACBMEN1ALDH1A1KMT2A
SCHEMBL29615396 0.77 NR3C1 (0.41) KDM4ENPSR1ALDH1A1KIF11KDM1A
SCHEMBL20577824 0.77 NR3C1 (0.41) KDM4ENPSR1ALDH1A1KIF11KDM1A
SCHEMBL18002768 0.74 GRM5 (0.59) KDM4ENPSR1KIF11KDM1ASMN1; SMN2
SCHEMBL3480516 0.73 CYP11B2 (0.60) ALOX5APFEN1
SCHEMBL18223968 0.71 CYP1A2 (0.48) SCN9APIK3CAKDM4ENPSR1ALDH1A1
SCHEMBL16663959 0.71 GAA (0.38) PIK3CAKDM4EAAK1MEN1ALDH1A1

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
CN-108602807-B Heterocyclic sulfonamide derivatives and drugs containing the same EA制药株式会社 2022-05-13 CN disclosed