SCHEMBL29976692

SCHEMBL29976692

COc1cccc(Cn2ccc(-c3cc(C(F)(F)F)nc([S+](C)[O-])n3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 3/20 0.50
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ HSD17B10 Q99714 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 2/20 0.40

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
SCHEMBL19805660 1.00 SDHB (0.50) SDHBMAPTALDH1A1KDM4EHPGD
SCHEMBL19805642 0.89 SDHB (0.48) SDHBMAPTALDH1A1KDM4EHPGD
SCHEMBL29976174 0.89 SDHB (0.48) SDHBMAPTALDH1A1KDM4EHPGD
SCHEMBL29976766 0.87 SDHB (0.49) SDHBALDH1A1HPGDSMN1; SMN2CYP2C19
SCHEMBL19805863 0.87 SDHB (0.49) SDHBALDH1A1HPGDSMN1; SMN2CYP2C19
SCHEMBL19805896 0.84 SDHB (0.51) SDHBALDH1A1ADORA2AL3MBTL1
SCHEMBL29976331 0.83 SDHB (0.51) SDHBMAPTALDH1A1KDM4EHPGD
SCHEMBL20985643 0.83 SDHB (0.51) SDHBMAPTALDH1A1KDM4EHPGD
SCHEMBL29976395 0.82 SDHB (0.46) SDHBMAPTALDH1A1KDM4EHPGD
SCHEMBL19805797 0.82 SDHB (0.46) SDHBMAPTALDH1A1KDM4EHPGD

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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