SCHEMBL19463148

SCHEMBL19463148

C=CC(=O)NCCC(NC(=O)O)C(=O)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 18/20 0.73
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.47

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
SCHEMBL22895130 0.89 TGM2 (0.92) TGM2
SCHEMBL31033042 0.89 TGM2 (0.92) TGM2
SCHEMBL31032928 0.84 TGM2 (1.00) TGM2
SCHEMBL22895131 0.84 TGM2 (1.00) TGM2
SCHEMBL19463909 0.84 TGM2 (1.00) TGM2
SCHEMBL19480342 0.84 TGM2 (1.00) TGM2
SCHEMBL22895129 0.81 TGM2 (0.84) TGM2
SCHEMBL31033038 0.81 TGM2 (0.84) TGM2
SCHEMBL17076473 0.81 TGM2 (1.00) TGM2KMT2AATM
SCHEMBL19463905 0.80 TGM2 (0.71) TGM2

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-3442533-A1 TG2 INHIBITOR COMPOUNDS AND USES THEREOF University Of Ottawa (CA) 2019-02-20 — — EP disclosed
WO-2017179018-A1 TG2 INHIBITOR COMPOUNDS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2017-10-19 — — WO disclosed
Send feedback