SCHEMBL24970264

SCHEMBL24970264

CC(C)(C)OC(=O)N1CCN(c2ncc(NS(C)(=O)=O)cc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TGM2 P21980 4/20 0.46
F13A1 P00488 3/20 0.46
TGM1 P22735 3/20 0.46
TGM3 Q08188 1/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
GPR119 Q8TDV5 4/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KIT P10721 2/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
STS P08842 1/20 0.43
P2RY12 Q9H244 2/20 0.42
PIK3CA P42336 1/20 0.42

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 1.00 MEN1 (0.47) MEN1KMT2ATGM2F13A1TGM1
SCHEMBL29268342 0.85 MEN1 (0.49) MEN1KMT2ATGM2F13A1TGM1
SCHEMBL12331964 0.83 CXCR3 (0.48) GPR119
SCHEMBL2366192 0.82 MEN1 (0.55) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL29268346 0.81 MEN1 (0.50) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL2366069 0.81 MEN1 (0.57) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL18837988 0.80 MEN1 (0.53) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL30903367 0.80 MEN1 (0.53) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL3171182 0.80 MEN1 (0.53) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL30903374 0.80 MEN1 (0.53) MEN1KMT2ANR1H2NR1H3GPR119

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373808-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS Institut national de la santé et de la recherche médicale (INSERM) (FR) 2024-05-29 EP disclosed
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 CN disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed