SCHEMBL29976570

SCHEMBL29976570

N#Cc1cccc(C[S+]([O-])c2nc(-c3cccs3)cc(C(F)(F)F)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 4/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ KDM4E B2RXH2 12/20 0.42
▸ ALDH1A1 P00352 8/20 0.42
▸ HPGD P15428 5/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ S1PR4 O95977 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.39
▸ GAA P10253 2/20 0.39

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
SCHEMBL19805853 1.00 SDHB (0.43) SDHBADORA2AKDM4EALDH1A1HPGD
SCHEMBL19805905 0.85 SDHB (0.54) SDHBADORA2AKDM4EALDH1A1HPGD
SCHEMBL29976249 0.85 SDHB (0.54) SDHBADORA2AKDM4EALDH1A1HPGD
SCHEMBL19805654 0.82 TLR8 (0.45) SDHBADORA2AKDM4EALDH1A1HPGD
SCHEMBL29976583 0.82 TLR8 (0.45) SDHBADORA2AKDM4EALDH1A1HPGD
SCHEMBL19805812 0.82 SDHB (0.44) SDHBADORA2AKDM4EALDH1A1HPGD
SCHEMBL29976671 0.82 SDHB (0.44) SDHBADORA2AKDM4EALDH1A1HPGD
SCHEMBL29977092 0.81 ADORA2A (0.53) SDHBADORA2AKDM4EALDH1A1HPGD
SCHEMBL19805742 0.81 ADORA2A (0.53) SDHBADORA2AKDM4EALDH1A1HPGD
SCHEMBL19805907 0.80 KDM4E (0.54) SDHBKDM4EALDH1A1HPGDHSD17B10

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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