SCHEMBL29976766

SCHEMBL29976766

C[S+]([O-])c1nc(-c2ccn(Cc3cccc(Cl)c3)c2)cc(C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 9/20 0.49
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.36
▸ FABP4 P15090 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PHF8 Q9UPP1 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL19805863 1.00 SDHB (0.49) SDHBCYP11B1CYP11B2SMN1; SMN2ALDH1A1
SCHEMBL29976395 0.90 SDHB (0.46) SDHBSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL19805797 0.90 SDHB (0.46) SDHBSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL29976692 0.87 SDHB (0.50) SDHBSMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL19805660 0.87 SDHB (0.50) SDHBSMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL19805896 0.86 SDHB (0.51) SDHBCYP11B1CYP11B2ALDH1A1
SCHEMBL19805642 0.83 SDHB (0.48) SDHBSMN1; SMN2ALDH1A1KDM4CHPGD
SCHEMBL29976174 0.83 SDHB (0.48) SDHBSMN1; SMN2ALDH1A1KDM4CHPGD
SCHEMBL19806077 0.82 SDHB (0.50) SDHBCYP11B1CYP11B2SMN1; SMN2ALDH1A1
SCHEMBL19805868 0.80 SDHB (0.73) SDHBSMN1; SMN2ALDH1A1LMNAHTT

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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