SCHEMBL28820683

SCHEMBL28820683

C=CCn1c(S)nnc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
APOBEC3G Q9HC16 3/20 0.61
GFER P55789 1/20 0.61
CFTR P13569 1/20 0.53
ATM Q13315 1/20 0.47
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
POLB P06746 2/20 0.45
RECQL P46063 2/20 0.45
THRB P10828 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
CDC7 O00311 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
HIPK2 Q9H2X6 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
SCHEMBL1544856 0.84 CFTR (0.50) ALDH1A1APOBEC3GGFERCFTRATM
SCHEMBL4206566 0.81 ALDH1A1 (0.63) ALDH1A1APOBEC3GGFERCFTRATM
SCHEMBL4212359 0.80 L3MBTL1 (0.49) ALDH1A1APOBEC3GGFERKMT2ATDP1
SCHEMBL4208984 0.78 TSHR (0.59) ALDH1A1APOBEC3GATMKMT2APOLB
SCHEMBL13401049 0.77 L3MBTL1 (0.55) ALDH1A1KMT2ARECQLNPSR1MAPT
SCHEMBL14557033 0.75 L3MBTL1 (0.38) ALDH1A1APOBEC3GPOLBRECQLNPSR1
SCHEMBL19604862 0.71 LMNA (0.53) ALDH1A1KMT2APOLBRECQLMAPT
SCHEMBL8625324 0.69 CA2 (0.40) ALDH1A1THRBMAPTKDM4EHPGD
SCHEMBL19032756 0.69 CFTR (1.00) ALDH1A1APOBEC3GGFERCFTRKMT2A
SCHEMBL29867334 0.69 KMT2A (0.49) ALDH1A1ATMKMT2ATDP1POLB

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-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed