SCHEMBL29698972

SCHEMBL29698972

CS(=O)(=O)c1ncc(C(F)(F)F)c(-c2ccn(S(=O)(=O)c3ccccc3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.40
SDHB P21912 3/20 0.39
MEN1 O00255 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR9 Q9NR96 1/20 0.39
PKM P14618 1/20 0.38
NR1H2 P55055 3/20 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
SCHEMBL29174619 0.84 PKM (0.40) NPY5RLMNAHTTPKMHTR6
SCHEMBL29698954 0.84 RXFP1 (0.43) NPY5RTP53HPGDPKMHTR6
SCHEMBL29083570 0.84 RXFP1 (0.43) NPY5RTP53HPGDPKMHTR6
SCHEMBL14643154 0.81 SDHB (0.49) SDHBMEN1S1PR4LMNATP53
SCHEMBL30549156 0.79 PTK2 (0.37) SDHBMEN1S1PR4LMNATP53
SCHEMBL28312455 0.79 CA12 (0.45) SDHBMEN1S1PR4LMNATP53
SCHEMBL26967483 0.76 HTR6 (0.53) HTR6
SCHEMBL30810462 0.71 CCNE1 (0.62) GRM4CDK1CDK2CDK4CCNB1
SCHEMBL21178230 0.70 CDK7 (0.42) HTR6CDK2CCNE1
SCHEMBL26967514 0.70 HTR6 (0.41) SDHBHTR6CDK2CCNE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745277-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-09-12 CN disclosed
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
WO-2022134641-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 WO disclosed
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