SCHEMBL29976318

SCHEMBL29976318

COC(=O)CCC[S+]([O-])c1nc(-c2cccs2)cc(C(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 3/20 0.50
▸ HPGD P15428 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ HTT P42858 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ TLR8 Q9NR97 1/20 0.48
▸ TP53 P04637 6/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ S1PR4 O95977 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 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
SCHEMBL19805802 1.00 SDHB (0.50) SDHBHPGDKDM4EHTTALDH1A1
SCHEMBL29975926 0.85 SDHB (0.64) SDHBHPGDKDM4EHTTALDH1A1
SCHEMBL19806053 0.85 SDHB (0.64) SDHBHPGDKDM4EHTTALDH1A1
SCHEMBL19806052 0.85 HPGD (0.60) SDHBHPGDKDM4EHTTALDH1A1
SCHEMBL19805829 0.82 SDHB (0.56) SDHBHPGDKDM4EHTTALDH1A1
SCHEMBL29976478 0.82 SDHB (0.56) SDHBHPGDKDM4EHTTALDH1A1
SCHEMBL19805730 0.80 SDHB (0.58) SDHBHPGDKDM4EHTTALDH1A1
SCHEMBL29976137 0.80 SDHB (0.58) SDHBHPGDKDM4EHTTALDH1A1
SCHEMBL19805862 0.78 SDHB (0.59) SDHBHPGDKDM4EHTTALDH1A1
SCHEMBL29976224 0.78 SDHB (0.59) SDHBHPGDKDM4EHTTALDH1A1

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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