SCHEMBL23927101

SCHEMBL23927101

C=CCN1C[C@@H]2C[C@@H](N(OCc3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])CN(C(=O)OC(C)(C)C)[C@@H]2C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 9/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
BCL2 P10415 3/20 0.34
BCL2L1 Q07817 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
PTPN1 P18031 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL22368503 1.00 MEN1 (0.36) MEN1KMT2AMCL1POLBALDH1A1
SCHEMBL19990607 0.92 KMT2A (0.35) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL23927097 0.86 MCL1 (0.35) MEN1KMT2AMCL1POLBALDH1A1
SCHEMBL20009188 0.81 KMT2A (0.37) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL19990660 0.80 KMT2A (0.36) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL22368492 0.80 KMT2A (0.36) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL19990663 0.79 KMT2A (0.34) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL15347117 0.79 MEN1 (0.43) MEN1KMT2AMCL1ALDH1A1JAK2
SCHEMBL15347277 0.78 MEN1 (0.42) MEN1KMT2AMCL1ALDH1A1JAK2
SCHEMBL15347310 0.78 MEN1 (0.42) MEN1KMT2AMCL1ALDH1A1JAK2

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
EP-3698796-B1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS NOVARTIS AG (CH) 2021-10-27 EP disclosed