SCHEMBL19805762

SCHEMBL19805762

COC(=O)CCCSc1nc(-c2cccs2)cc(C(F)(F)F)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.63
▸ KDM4E B2RXH2 5/20 0.62
▸ HPGD P15428 5/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ HTT P42858 2/20 0.61
▸ THRB P10828 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ TSHR P16473 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ ALOX15 P16050 1/20 0.55

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
SCHEMBL19805711 0.85 ALDH1A1 (0.71) MAPTKDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL22912267 0.84 KDM4E (0.64) MAPTKDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL19806036 0.82 SDHB (0.71) MAPTKDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL22912240 0.81 KDM4E (0.67) MAPTKDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL6722321 0.79 KDM4E (0.72) MAPTKDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL19805735 0.79 KDM4E (0.66) MAPTKDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL19805767 0.79 SDHB (0.74) MAPTKDM4EHPGDSMN1; SMN2HTT
SCHEMBL19805802 0.78 SDHB (0.50) MAPTKDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL29976318 0.78 SDHB (0.50) MAPTKDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL19805915 0.77 KDM4E (0.66) MAPTKDM4EHPGDSMN1; SMN2CYP1A2

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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