SCHEMBL29976642

SCHEMBL29976642

COc1ccc(-c2cc(C(F)(F)F)nc([S+](C)[O-])n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.63
▸ ALDH1A1 P00352 8/20 0.57
▸ HPGD P15428 8/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ TP53 P04637 3/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.57
▸ USP2 O75604 1/20 0.57
▸ MAPT P10636 9/20 0.55
▸ HSD17B10 Q99714 3/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ MAPK1 P28482 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL19805666 1.00 KDM4E (0.63) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL19805642 0.81 SDHB (0.48) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL29976174 0.81 SDHB (0.48) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL29976309 0.81 SDHB (0.69) TP53MAPT
SCHEMBL19805871 0.81 SDHB (0.69) TP53MAPT
SCHEMBL19805669 0.81 SDHB (0.52) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL19805680 0.79 MEN1 (0.49) HPGDKMT2AMEN1LMNA
SCHEMBL28348177 0.77 KDM4E (0.69) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL30230259 0.77 KDM4E (0.69) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL19805624 0.76 SDHB (0.61) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A

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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