SCHEMBL28103256

SCHEMBL28103256

NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
POLB P06746 3/20 0.66
GAA P10253 2/20 0.62
CRHBP P24387 3/20 0.61
CRHR2 Q13324 3/20 0.61
NLRP3 Q96P20 1/20 0.61
ALDH1A1 P00352 3/20 0.59
MAPT P10636 5/20 0.58
TSHR P16473 1/20 0.58
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
HPGD P15428 1/20 0.56
CA2 P00918 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL27472751 0.88 MEN1 (0.72) MEN1KMT2APOLBGAACRHBP
SCHEMBL28723007 0.88 MEN1 (0.82) MEN1KMT2APOLBGAACRHBP
SCHEMBL31384411 0.85 MEN1 (0.60) MEN1KMT2APOLBGAACRHBP
SCHEMBL8650854 0.83 MEN1 (0.66) MEN1KMT2APOLBGAACRHBP
SCHEMBL4929277 0.81 MEN1 (0.77) MEN1KMT2APOLBGAAMAPT
SCHEMBL222685 0.79 MEN1 (0.70) MEN1KMT2APOLBGAACRHBP
SCHEMBL28007431 0.78 MAPT (0.76) MEN1KMT2APOLBGAACRHBP
SCHEMBL29123185 0.78 CA1 (0.67) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL9592831 0.77 TSHR (0.63) MEN1KMT2APOLBGAACRHBP
SCHEMBL14641039 0.77 MEN1 (0.67) MEN1KMT2APOLBGAACRHBP

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-104327045-B A kind of acridine thioether analog derivative and its production and use 广西中医药大学 2016-11-30 CN claimed