SCHEMBL28644956

SCHEMBL28644956

O=S(=O)(Nc1cccnc1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ HTT P42858 5/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ POLB P06746 2/20 0.67
▸ FFAR4 Q5NUL3 1/20 0.64
▸ LMNA P02545 4/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ TSHR P16473 5/20 0.60
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ ALPL P05186 1/20 0.58
▸ GAA P10253 1/20 0.57
▸ PTGS2 P35354 1/20 0.57

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
SCHEMBL17311790 0.85 MEN1 (0.73) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL1094118 0.85 MEN1 (0.73) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL31661903 0.85 MEN1 (0.73) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL10031630 0.84 KMT2A (0.72) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL8228775 0.84 POLB (0.91) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL9568492 0.84 KMT2A (0.72) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL9209937 0.84 KMT2A (0.72) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL23565665 0.83 KMT2A (0.71) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL5514453 0.81 MEN1 (0.69) KMT2AMEN1ALDH1A1POLBFFAR4
SCHEMBL2801932 0.81 KMT2A (0.68) KMT2AMEN1HTTSMN1; SMN2ALDH1A1

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-110526907-B Benzoxazinone derivatives and uses thereof 四川大学 2021-04-23 — — CN disclosed
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