SCHEMBL29976137

SCHEMBL29976137

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 5/20 0.58
▸ TLR8 Q9NR97 1/20 0.55
▸ KDM4E B2RXH2 9/20 0.54
▸ HPGD P15428 7/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ HTT P42858 4/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ S1PR4 O95977 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ S1PR1 P21453 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ADORA2A P29274 1/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47

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
SCHEMBL19805730 1.00 SDHB (0.58) SDHBTLR8KDM4EHPGDALDH1A1
SCHEMBL19805829 0.90 SDHB (0.56) SDHBTLR8KDM4EHPGDALDH1A1
SCHEMBL29976478 0.90 SDHB (0.56) SDHBTLR8KDM4EHPGDALDH1A1
SCHEMBL19805850 0.86 SDHB (0.51) SDHBTLR8KDM4EHPGDALDH1A1
SCHEMBL29976285 0.86 SDHB (0.51) SDHBTLR8KDM4EHPGDALDH1A1
SCHEMBL19805731 0.86 KDM4E (0.57) SDHBTLR8KDM4EHPGDALDH1A1
SCHEMBL29976376 0.86 KDM4E (0.57) SDHBTLR8KDM4EHPGDALDH1A1
SCHEMBL29976249 0.84 SDHB (0.54) SDHBTLR8KDM4EHPGDALDH1A1
SCHEMBL19805905 0.84 SDHB (0.54) SDHBTLR8KDM4EHPGDALDH1A1
SCHEMBL19805862 0.83 SDHB (0.59) SDHBTLR8KDM4EHPGDALDH1A1

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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