SCHEMBL29268342

SCHEMBL29268342

CC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
P2RY12 Q9H244 2/20 0.46
CXCR3 P49682 1/20 0.45
KIT P10721 2/20 0.45
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
TGM3 Q08188 1/20 0.45
PTPN11 Q06124 1/20 0.44
ALK Q9UM73 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL30903380 0.85 MEN1 (0.47) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL24970264 0.85 MEN1 (0.47) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL2366192 0.83 MEN1 (0.55) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL2417915 0.83 MEN1 (0.52) MEN1KMT2ASMN1; SMN2MAPTNR1H2
SCHEMBL2366069 0.82 MEN1 (0.57) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL30903367 0.81 MEN1 (0.53) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL18837988 0.81 MEN1 (0.53) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL3171182 0.81 MEN1 (0.53) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL30903374 0.81 MEN1 (0.53) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL24971004 0.81 MEN1 (0.53) MEN1KMT2ASMN1; SMN2MAPTTSHR

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-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 CN disclosed