SCHEMBL30469809

SCHEMBL30469809

CC(C)(C)OC(=O)Nc1ncc([N+](=O)[O-])cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
MAPT P10636 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PRMT1 Q99873 1/20 0.40
GLA P06280 1/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
MMP1 P03956 3/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
MMP13 P45452 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC29A1 Q99808 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL6519773 1.00 CYP2C19 (0.42) CYP2C19MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9909951 0.86 ALDH1A1 (0.46) CYP2C19MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29081418 0.84 HTT (0.49) CYP2C19MAPTNPC1RAB9AALDH1A1
SCHEMBL29477688 0.84 HTT (0.49) CYP2C19MAPTNPC1RAB9AALDH1A1
SCHEMBL29081695 0.82 ALDH1A1 (0.49) CYP2C19MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29477833 0.82 ALDH1A1 (0.49) CYP2C19MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29081282 0.81 MAPT (0.41) CYP2C19MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL914646 0.81 GAA (0.54) MAPTSMN1; SMN2ALDH1A1GLAGAA
SCHEMBL857380 0.80 AAK1 (0.42) CYP2C19MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29053787 0.79 GAA (0.56) MAPTNPC1RAB9ASMN1; SMN2ALOX5

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-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 EP disclosed