SCHEMBL29466121

SCHEMBL29466121

FC(F)(F)c1cc(=S)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.74
▸ MEN1 O00255 10/20 0.74
▸ USP2 O75604 8/20 0.74
▸ TDP1 Q9NUW8 3/20 0.74
▸ HTT P42858 2/20 0.74
▸ KEAP1 Q14145 1/20 0.74
▸ NFE2L2 Q16236 1/20 0.74
▸ GPR35 Q9HC97 1/20 0.74
▸ ALDH1A1 P00352 8/20 0.48
▸ CASP1 P29466 7/20 0.48
▸ CASP7 P55210 7/20 0.48
▸ MAPT P10636 6/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ GAA P10253 5/20 0.48
▸ HPGD P15428 5/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ LMNA P02545 5/20 0.48
▸ GLA P06280 2/20 0.48
▸ ATM Q13315 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL31267435 0.85 MEN1 (1.00) KMT2AMEN1USP2TDP1HTT
SCHEMBL194764 0.85 MEN1 (1.00) KMT2AMEN1USP2TDP1HTT
SCHEMBL29787036 0.72 KMT2A (0.78) KMT2AMEN1USP2TDP1HTT
SCHEMBL16316690 0.72 KMT2A (0.63) KMT2AMEN1USP2TDP1HTT
SCHEMBL12153732 0.70 ALDH1A1 (0.67) KMT2AMEN1USP2TDP1HTT
SCHEMBL15398196 0.70 MEN1 (0.69) KMT2AMEN1USP2TDP1HTT
SCHEMBL12879922 0.69 ALDH1A1 (0.66) KMT2AMEN1USP2TDP1HTT
SCHEMBL29440640 0.69 MEN1 (0.73) KMT2AMEN1USP2TDP1HTT
SCHEMBL394375 0.69 MEN1 (0.73) KMT2AMEN1USP2TDP1HTT
SCHEMBL17914323 0.69 ALDH1A1 (0.62) KMT2AMEN1USP2TDP1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195811-B Synthesis of difunctional fluorescent probe and application of difunctional fluorescent probe in simultaneous distinguishing detection of hydrogen peroxide and HClO 湖南师范大学 2023-07-04 — — CN claimed
CN-114195811-A Synthesis of bifunctional fluorescent probes and simultaneous discrimination thereof2O2And application of HClO 湖南师范大学 2022-03-18 — — CN claimed
CN-114195811-B Synthesis of difunctional fluorescent probe and application of difunctional fluorescent probe in simultaneous distinguishing detection of hydrogen peroxide and HClO 湖南师范大学 2023-07-04 — — CN disclosed
CN-114195811-A Synthesis of bifunctional fluorescent probes and simultaneous discrimination thereof2O2And application of HClO 湖南师范大学 2022-03-18 — — CN disclosed
Send feedback