SCHEMBL28599291

SCHEMBL28599291

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAOB P27338 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CRHBP P24387 2/20 0.33
▸ CRHR2 Q13324 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32

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) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL28593722 0.79 PTGES (0.35) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL28599882 0.77 MEN1 (0.35) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL28610271 0.77 ALDH1A1 (0.48) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL28590973 0.76 ALDH1A1 (0.38) KMT2AMAPTMEN1LMNAHTT
SCHEMBL30102203 0.76 KMT2A (0.64) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL28651876 0.76 KMT2A (0.64) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL28651874 0.76 KMT2A (0.64) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL28599292 0.75 KMT2A (0.44) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL28592966 0.71 MEN1 (0.49) KMT2ANPC1RAB9AMAPTMEN1

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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