SCHEMBL21766928

SCHEMBL21766928

COc1cnc(C[C@H](C)S(N)(=O)=O)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 14/20 0.51
SIRT6 Q8N6T7 1/20 0.42
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NNMT P40261 2/20 0.32
TSHR P16473 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31
TUBB2B Q9BVA1 1/20 0.31

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
SCHEMBL21766929 1.00 APLNR (0.51) APLNRSIRT6CA1CA2NNMT
SCHEMBL18246990 0.81 APLNR (0.42) APLNRSIRT6TSHR
SCHEMBL20177980 0.79 APLNR (0.38) APLNR
SCHEMBL30665043 0.78 SIRT6 (0.43) APLNRSIRT6NNMTTUBB4ATUBB
SCHEMBL22332822 0.74 SIRT6 (0.45) APLNRSIRT6CA1CA2NNMT
SCHEMBL28452726 0.74 APLNR (0.43) APLNRCA1CA2
SCHEMBL19574019 0.71 LMNA (0.43) APLNRCA1CA2
SCHEMBL17541055 0.70 SIRT6 (0.50) APLNRSIRT6NNMTTSHRTUBB4A
SCHEMBL21767155 0.70 APLNR (0.39) APLNRCA2
SCHEMBL18504964 0.70 APLNR (0.50) APLNRCA1CA2

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
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed