SCHEMBL28613448

SCHEMBL28613448

C/C=C/C(=O)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-].NC(O)=S.NC(O)=S

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 3/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 2/20 0.39
GPR35 Q9HC97 1/20 0.39
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
AR P10275 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TTR P02766 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
HTT P42858 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL168448 0.92 RAB9A (0.47) MEN1KMT2APOLBRAB9ATSHR
SCHEMBL168447 0.92 RAB9A (0.47) MEN1KMT2APOLBRAB9ATSHR
SCHEMBL29124763 0.86 GPR35 (0.57) MEN1KMT2APOLBRAB9ATSHR
SCHEMBL11973532 0.83 RAB9A (0.53) MEN1KMT2APOLBRAB9ALMNA
SCHEMBL11973525 0.83 RAB9A (0.53) MEN1KMT2APOLBRAB9ALMNA
SCHEMBL28459459 0.79 TDP1 (0.50) MEN1KMT2APOLBRAB9ATSHR
SCHEMBL11800159 0.79 GPR35 (0.42) MEN1KMT2APOLBRAB9ATSHR
SCHEMBL2373772 0.77 GPR35 (0.51) MEN1KMT2APOLBRAB9ATSHR
SCHEMBL7548864 0.76 GPR35 (0.47) MEN1KMT2APOLBRAB9ATSHR
SCHEMBL14965454 0.76 MEN1 (0.49) MEN1KMT2APOLBRAB9ATSHR

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-113164897-A Method for preparing microparticles filled with active material 巴斯夫欧洲公司 2021-07-23 CN disclosed