SCHEMBL31039780

SCHEMBL31039780

COc1ccc(OS(C)(=O)=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.43
KCNH2 Q12809 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38

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
SCHEMBL22852596 0.84 NNMT (0.42) NNMTCA1CA2KDM4EPOLB
SCHEMBL22444656 0.81 SLC22A12 (0.43) NNMTCA1CA2KDM4EPOLB
SCHEMBL29525223 0.78 NNMT (0.48) NNMTCA1CA2KDM4EMKNK1
SCHEMBL3816388 0.78 NNMT (0.48) NNMTCA1CA2KDM4EMKNK1
SCHEMBL28610470 0.76 SIRT6 (0.46) NNMTKCNH2TUBB4ATUBBTUBA3C
SCHEMBL28784349 0.75 NQO1 (0.43) CA1CA2POLBLMNAMAPT
SCHEMBL6941035 0.73 CA1 (0.64) CA1CA2MAPTCYP2A6
SCHEMBL1688213 0.73 KCNH2 (0.56) NNMTKCNH2CA1CA2KDM4E
SCHEMBL27703306 0.73 LMNA (0.51) KCNH2KDM4EMEN1PABPC1KMT2A
SCHEMBL31428799 0.73 TUBB4A (0.36) CA2KDM4ETUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978537-A Pyrazolo [1,5-a ] pyridine derivative, preparation method and application thereof 上海岱岱投资咨询有限公司 2024-11-19 CN disclosed
CN-113508116-B Pyrazolo [1,5-a ] pyridine derivative, preparation method and application thereof 察略盛医药科技(上海)有限公司 2024-08-13 CN disclosed