SCHEMBL19805902

SCHEMBL19805902

FC(F)(F)c1cc(-c2cccs2)nc(Sc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.56
▸ HPGD P15428 6/20 0.53
▸ HTT P42858 4/20 0.53
▸ SDHB P21912 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ S1PR4 O95977 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ S1PR1 P21453 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52

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
SCHEMBL29976623 0.82 KDM4E (0.60) KDM4EHPGDHTTSDHBALDH1A1
SCHEMBL19805734 0.82 KDM4E (0.60) KDM4EHPGDHTTSDHBALDH1A1
SCHEMBL19805846 0.81 KDM4E (0.67) KDM4EHPGDHTTSDHBALDH1A1
SCHEMBL19805915 0.80 KDM4E (0.66) KDM4EHPGDHTTSDHBALDH1A1
SCHEMBL19805735 0.79 KDM4E (0.66) KDM4EHPGDHTTSDHBALDH1A1
SCHEMBL6722321 0.78 KDM4E (0.72) KDM4EHPGDHTTALDH1A1SMN1; SMN2
SCHEMBL22912194 0.77 KDM4E (0.49) KDM4EHPGDHTTSDHBALDH1A1
SCHEMBL19805659 0.77 SDHB (0.61) KDM4EHPGDHTTSDHBALDH1A1
SCHEMBL22912240 0.77 KDM4E (0.67) KDM4EHPGDHTTSDHBALDH1A1
SCHEMBL19805852 0.76 KDM4E (0.57) KDM4EHPGDHTTSDHBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 — — WO disclosed
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