SCHEMBL29975926

SCHEMBL29975926

CCOC(=O)CC[S+]([O-])c1nc(-c2cccs2)cc(C(F)(F)F)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 3/20 0.64
▸ ALDH1A1 P00352 6/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ HPGD P15428 7/20 0.48
▸ KDM4E B2RXH2 6/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTT P42858 4/20 0.47
▸ THRB P10828 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPK1 P28482 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ TP53 P04637 4/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ S1PR4 O95977 2/20 0.46

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
SCHEMBL19806053 1.00 SDHB (0.64) SDHBALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL19806052 0.86 HPGD (0.60) SDHBALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL19805802 0.85 SDHB (0.50) SDHBALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL29976318 0.85 SDHB (0.50) SDHBALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL29976478 0.83 SDHB (0.56) SDHBALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL19805829 0.83 SDHB (0.56) SDHBALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL19805730 0.81 SDHB (0.58) SDHBALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL29976137 0.81 SDHB (0.58) SDHBALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL19805711 0.78 ALDH1A1 (0.71) SDHBALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL29976120 0.78 SDHB (1.00) SDHBALDH1A1KMT2AHPGDKDM4E

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-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
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