SCHEMBL29976329

SCHEMBL29976329

[O-][S+](c1ccccc1)c1nc(-c2cccs2)cc(C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.51
▸ ALDH1A1 P00352 7/20 0.51
▸ HPGD P15428 7/20 0.51
▸ SDHB P21912 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ S1PR4 O95977 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ S1PR1 P21453 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TLR8 Q9NR97 1/20 0.46
▸ ADORA2A P29274 1/20 0.46

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
SCHEMBL19805833 1.00 KDM4E (0.51) KDM4EALDH1A1HPGDSDHBHSD17B10
SCHEMBL29976376 0.83 KDM4E (0.57) KDM4EALDH1A1HPGDSDHBHSD17B10
SCHEMBL19805731 0.83 KDM4E (0.57) KDM4EALDH1A1HPGDSDHBHSD17B10
SCHEMBL19805905 0.82 SDHB (0.54) KDM4EALDH1A1HPGDSDHBHSD17B10
SCHEMBL29976249 0.82 SDHB (0.54) KDM4EALDH1A1HPGDSDHBHSD17B10
SCHEMBL19805862 0.81 SDHB (0.59) KDM4EALDH1A1HPGDSDHBHSD17B10
SCHEMBL29976224 0.81 SDHB (0.59) KDM4EALDH1A1HPGDSDHBHSD17B10
SCHEMBL29976478 0.81 SDHB (0.56) KDM4EALDH1A1HPGDSDHBHSD17B10
SCHEMBL19805829 0.81 SDHB (0.56) KDM4EALDH1A1HPGDSDHBHSD17B10
SCHEMBL19805730 0.80 SDHB (0.58) KDM4EALDH1A1HPGDSDHBHSD17B10

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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