SCHEMBL28910482

SCHEMBL28910482

[O-][S+](Cc1ccc(N2CCOCC2)cc1)c1nc(-c2cccs2)cc(C(F)(F)F)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.61
▸ HSD17B10 Q99714 5/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ ALDH1A1 P00352 8/20 0.46
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ ADORA2A P29274 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SDHB P21912 4/20 0.41
▸ HPGD P15428 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 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
SCHEMBL20985711 0.84 KDM4E (0.47) KDM4EHSD17B10MAPK1TDP1TSHR
SCHEMBL19805905 0.83 SDHB (0.54) KDM4EHSD17B10MAPK1TDP1TSHR
SCHEMBL29976249 0.83 SDHB (0.54) KDM4EHSD17B10MAPK1TDP1TSHR
SCHEMBL23897438 0.83 KDM4E (0.46) KDM4EHSD17B10MAPK1TDP1TSHR
SCHEMBL19805635 0.81 SDHB (0.59) KDM4EHSD17B10MAPK1TDP1TSHR
SCHEMBL29976621 0.81 SDHB (0.59) KDM4EHSD17B10MAPK1TDP1TSHR
SCHEMBL19805732 0.80 TP53 (0.49) KDM4EHSD17B10MAPK1TDP1TSHR
SCHEMBL29976339 0.80 TP53 (0.49) KDM4EHSD17B10MAPK1TDP1TSHR
SCHEMBL29977092 0.79 ADORA2A (0.53) KDM4EHSD17B10MAPK1TDP1TSHR
SCHEMBL19805742 0.79 ADORA2A (0.53) KDM4EHSD17B10MAPK1TDP1TSHR

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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