SCHEMBL19806036

SCHEMBL19806036

Cc1ccc(O)c(NC(=O)CCCSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 1/20 0.71
▸ MAPT P10636 7/20 0.69
▸ TP53 P04637 4/20 0.69
▸ GAA P10253 3/20 0.69
▸ POLB P06746 2/20 0.57
▸ KDM4E B2RXH2 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ THRB P10828 2/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ HPGD P15428 3/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HTT P42858 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL19806037 0.83 SDHB (1.00) SDHBMAPTTP53GAAKDM4E
SCHEMBL19805762 0.82 MAPT (0.63) MAPTTP53POLBKDM4ESMN1; SMN2
SCHEMBL22912267 0.79 KDM4E (0.64) MAPTPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19805711 0.76 ALDH1A1 (0.71) SDHBMAPTPOLBKDM4ESMN1; SMN2
SCHEMBL6722321 0.74 KDM4E (0.72) MAPTPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL22912240 0.74 KDM4E (0.67) SDHBMAPTTP53POLBKDM4E
SCHEMBL15390518 0.72 KDM4E (1.00) MAPTTP53GAAPOLBKDM4E
SCHEMBL19805735 0.72 KDM4E (0.66) SDHBMAPTTP53POLBKDM4E
SCHEMBL19805915 0.70 KDM4E (0.66) SDHBMAPTTP53POLBKDM4E
SCHEMBL19805734 0.68 KDM4E (0.60) SDHBMAPTTP53POLBKDM4E

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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