SCHEMBL29083570

SCHEMBL29083570

CSc1ncc(C(F)(F)F)c(-c2ccn(S(=O)(=O)c3ccccc3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.43
NPY5R Q15761 1/20 0.38
PKM P14618 1/20 0.38
NTRK1 P04629 1/20 0.37
MDM4 O15151 2/20 0.35
MDM2 Q00987 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 2/20 0.35
HTR6 P50406 1/20 0.35
GRM4 Q14833 1/20 0.35
HSD11B1 P28845 1/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 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
SCHEMBL29698954 1.00 RXFP1 (0.43) RXFP1NPY5RPKMNTRK1MDM4
SCHEMBL29698972 0.84 NPY5R (0.40) NPY5RPKMTP53HPGDHTR6
SCHEMBL29174619 0.84 PKM (0.40) NPY5RPKMHTR6GRM4HSD11B1
SCHEMBL14648923 0.77 RXFP1 (0.59) RXFP1NTRK1TP53THRBKDM4E
SCHEMBL25593890 0.76 HTR6 (0.50) HTR6
SCHEMBL29068549 0.73 RXFP1 (0.39) RXFP1NTRK1HPGDHSD11B1AR
SCHEMBL30549107 0.71 RXFP1 (0.37) RXFP1HPGDARKDM4EALDH1A1
SCHEMBL29699020 0.71 CDK7 (0.42) RXFP1HTR6
SCHEMBL21178205 0.71 CDK7 (0.42) RXFP1HTR6
SCHEMBL29699098 0.70 GRM4 (0.35) NPY5RPKMMDM4MDM2TP53

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-116670123-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-08-29 CN disclosed