SCHEMBL30714537

SCHEMBL30714537

O=C(c1ccc(S(=O)(=O)c2cccc3cccnc23)cc1)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.56
PKLR P30613 16/20 0.53
RIPK1 Q13546 1/20 0.52
PKM P14618 2/20 0.50
RAD52 P43351 1/20 0.50
UBE2N P61088 1/20 0.50

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
SCHEMBL2701040 0.84 PKLR (0.75) PKLRPKM
SCHEMBL29277895 0.81 PKLR (0.75) PKLRPKM
SCHEMBL18753317 0.81 PKLR (0.70) PKLRPKM
SCHEMBL18753921 0.77 PKLR (0.69) PKLR
SCHEMBL18753943 0.77 PKLR (0.70) PKLR
SCHEMBL10260168 0.75 PKLR (0.61) PKLRPKM
SCHEMBL10261006 0.75 PKLR (0.61) PKLRPKM
SCHEMBL18753962 0.75 PKM (0.61) PKLRPKM
SCHEMBL18753964 0.75 PKLR (0.59) PKLR
SCHEMBL22394150 0.75 PKLR (0.82) PKLRPKM

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-117396205-A Method for titrating Mitapilar 安吉奥斯医药品有限公司 2024-01-12 CN disclosed