SCHEMBL28593722

SCHEMBL28593722

O=[SH](=O)CN=Nc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ IDO1 P14902 3/20 0.32
▸ TDO2 P48775 2/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ SIGMAR1 Q99720 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ AGXT P21549 1/20 0.31
▸ L3MBTL3 Q96JM7 3/20 0.31

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
SCHEMBL28605572 0.79 MEN1 (0.45) ALDH1A1MEN1KMT2ATDP1MAPK1
SCHEMBL28599291 0.79 KMT2A (0.44) MEN1KMT2ATAAR1MAPK1MAPT
SCHEMBL28591446 0.77 CYP1A1 (0.44) ALDH1A1MEN1KMT2ATDP1MAPK1
SCHEMBL28610271 0.77 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATDP1MAPK1
SCHEMBL28590973 0.76 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7172274 0.76 ALDH1A1 (0.46) PTGESALDH1A1MEN1KMT2ATDP1
SCHEMBL7172271 0.76 ALDH1A1 (0.46) PTGESALDH1A1MEN1KMT2ATDP1
SCHEMBL30102043 0.76 ALDH1A1 (0.46) PTGESALDH1A1MEN1KMT2ATDP1
SCHEMBL28599869 0.75 MBTD1 (0.36) PTGESALDH1A1MEN1KMT2ATDP1
SCHEMBL28599862 0.74 POLB (0.34) MAPTSMN1; SMN2KDM4EPOLBL3MBTL3

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-113024430-A Process for converting substituted arylamines to arylazomethylsulfones 天津师范大学 2021-06-25 — — CN disclosed
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