SCHEMBL21812876

SCHEMBL21812876

CC(C)(C)N(Cc1nc(Br)cs1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.38
MMP13 P45452 3/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.30
GRM5 P41594 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7440479 0.78 MMP1 (0.35) MMP1MMP13MMP2MMP9MEN1
SCHEMBL1058191 0.77 MMP1 (0.35) MMP1MMP13MMP2MMP9MEN1
SCHEMBL20679753 0.77 MMP13 (0.43) MMP1MMP13MMP2MMP9MEN1
SCHEMBL1584869 0.73 HSP90AA1 (0.38) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL21812608 0.72 CHEK1 (0.40) MEN1KMT2AALDH1A1L3MBTL1CNR2
SCHEMBL702921 0.70 GRM5 (0.32) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL67697 0.70 MEN1 (0.42) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL4700565 0.69 CNR2 (0.31) CNR2
SCHEMBL1284719 0.68 MEN1 (0.39) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL1684422 0.67 MEN1 (0.55) MEN1KMT2ALMNAALDH1A1HTT

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
WO-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 WO disclosed
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 EP disclosed