SCHEMBL29699098

SCHEMBL29699098

O=S(=O)(c1ccccc1)n1ccc(-c2nc(OCC(F)(F)F)nc(Cl)c2C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
NPY5R Q15761 1/20 0.34
MDM4 O15151 2/20 0.34
MDM2 Q00987 2/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.33
HTR6 P50406 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33
TUBB4B P68371 3/20 0.33
TUBB3 Q13509 3/20 0.33

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
SCHEMBL29174619 0.75 PKM (0.40) GRM4LMNANPY5RPKMHTR6
SCHEMBL29083570 0.70 RXFP1 (0.43) GRM4NPY5RMDM4MDM2TP53
SCHEMBL29698954 0.70 RXFP1 (0.43) GRM4NPY5RMDM4MDM2TP53
SCHEMBL29698972 0.69 NPY5R (0.40) GRM4LMNANPY5RTP53PKM
SCHEMBL29174697 0.68 PKM (0.44) GRM4NPY5RPKMHTR6TUBB4A
SCHEMBL28195659 0.64 GRM4 (0.43) GRM4LMNATSHRPKMHTR6
SCHEMBL28195638 0.64 PKM (0.56) TSHRNPY5RMDM4MDM2TP53
SCHEMBL28111864 0.63 PKM (0.51) GRM4LMNATSHRPKMHTR6
SCHEMBL24588186 0.63 EGFR (0.34) HTR6
SCHEMBL16916914 0.63 GRM4 (0.44) GRM4NPY5RMDM4MDM2TP53

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-2022134642-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 WO disclosed