SCHEMBL29926690

SCHEMBL29926690

C=CS(=O)(=O)NN1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 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
SCHEMBL5496935 0.78 CA1 (0.32)
SCHEMBL3631455 0.71 KDM4E (0.37) KDM4E
SCHEMBL946454 0.71 KDM4E (0.37) KDM4E
SCHEMBL6333240 0.71 KDM4E (0.37) KDM4E
SCHEMBL7373065 0.71 LMNA (0.39) KDM4E
Piperazine SCHEMBL28325908 0.67
SCHEMBL5734016 0.67 KDM4E (0.46) KDM4EF13A1TGM2TGM1
SCHEMBL6308620 0.67 CA1 (0.34) KDM4E
Hydrochloric Acid SCHEMBL998901 0.67 GNAI3 (0.43) KDM4E
SCHEMBL2921111 0.65 KDM4E (0.36) KDM4E

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-112209990-B Combretastatin derivative and antibody drug conjugate thereof 上海科技大学 2022-10-14 CN disclosed