SCHEMBL30956487

SCHEMBL30956487

COC(=O)c1cccc(-c2nc(S(C)(=O)=O)ncc2C(F)F)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SDHB P21912 2/20 0.43
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 3/20 0.36
TLR9 Q9NR96 2/20 0.36
AGTR1 P30556 1/20 0.36
PDE4B Q07343 2/20 0.36
NPC1 O15118 2/20 0.35
PTPRC P08575 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.35
SLC40A1 Q9NP59 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL30956412 0.90 SDHB (0.51) SDHBSLC6A4SLC6A3KMT2AMEN1
SCHEMBL31013317 0.81 TP53 (0.41) SLC6A4SLC6A3KMT2AMEN1PDE4B
SCHEMBL22097697 0.78 PDE4B (0.44) SDHBKMT2AMEN1RAB9ATLR9
SCHEMBL22097808 0.77 CA12 (0.42) SDHBKMT2AMEN1RAB9ATLR9
SCHEMBL19923176 0.74 SLC6A3 (0.59) SLC6A4SLC6A3KMT2AMEN1PTPRC
SCHEMBL31413100 0.71 TSHR (0.46) SLC6A4SLC6A3KMT2APTPRCKDM4E
SCHEMBL30956434 0.70 TP53 (0.46) SLC6A4SLC6A3KMT2AMEN1PDE4B
SCHEMBL30956571 0.70 SLC6A4 (0.41) SLC6A4SLC6A3KMT2AMEN1RAB9A
SCHEMBL30956592 0.70 MRGPRX4 (0.41) SLC6A4SLC6A3KMT2AMEN1RAB9A
SCHEMBL30956550 0.69 SLC6A4 (0.40) SLC6A4SLC6A3KMT2AMEN1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed