SCHEMBL30754653

SCHEMBL30754653

O=S(=O)(c1ccccc1F)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTR6 P50406 2/20 0.52
USP2 O75604 1/20 0.51
CYP3A4 P08684 5/20 0.51
NFKB1 P19838 3/20 0.51
CYP1A2 P05177 3/20 0.51
TSHR P16473 3/20 0.51
TP53 P04637 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
MYLK Q15746 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
THPO P40225 1/20 0.51
HIF1A Q16665 1/20 0.51
PKM P14618 1/20 0.51
PKLR P30613 1/20 0.51

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
Hydrochloric Acid SCHEMBL1180519 0.98 KMT2A (0.55) KMT2AL3MBTL1ALDH1A1SMN1; SMN2HTR6
SCHEMBL3245089 0.94 CYP3A4 (0.60) KMT2AL3MBTL1ALDH1A1SMN1; SMN2HTR6
SCHEMBL14489596 0.84 TSHR (0.71) KMT2AL3MBTL1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL20145597 0.82 TSHR (0.75) KMT2AL3MBTL1ALDH1A1SMN1; SMN2USP2
SCHEMBL7650437 0.81 KMT2A (0.58) KMT2AL3MBTL1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL19348478 0.81 KMT2A (0.67) KMT2AL3MBTL1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL17808926 0.81 PKM (0.76) KMT2ACYP3A4NFKB1CYP1A2TSHR
SCHEMBL654111 0.81 USP2 (0.66) KMT2AALDH1A1HTR6USP2CYP3A4
SCHEMBL30610303 0.81 USP2 (0.66) KMT2AALDH1A1HTR6USP2CYP3A4
SCHEMBL28213830 0.80 PKM (0.54) KMT2AALDH1A1HTR6USP2TSHR

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-117720528-A Oxadiazole sulfonamide compound containing pyrazole structure, and preparation method and application thereof 贵州大学 2024-03-19 CN disclosed