SCHEMBL28734871

SCHEMBL28734871

Cc1ccc(-c2noc(CSc3nnc(NC(=O)c4ccccc4F)s3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
RAB9A P51151 13/20 0.52
NPC1 O15118 11/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.49
CASP3 P42574 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ABL1 P00519 2/20 0.47
SRC P12931 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 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
SCHEMBL28734841 0.93 RAB9A (0.57) LMNARAB9ANPC1KDM4EALDH1A1
SCHEMBL28734870 0.93 RAB9A (0.56) LMNARAB9ANPC1KDM4EALDH1A1
SCHEMBL28734855 0.91 ABL1 (0.52) LMNARAB9ANPC1KDM4EALDH1A1
SCHEMBL28734869 0.88 SMN1; SMN2 (0.57) LMNARAB9ANPC1KDM4EALDH1A1
SCHEMBL28734860 0.83 NPC1 (0.55) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL28734856 0.83 ABL1 (0.65) LMNARAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL28734874 0.81 ABL1 (0.58) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL28734837 0.81 MAPT (0.47) LMNARAB9ANPC1KDM4EALDH1A1
SCHEMBL28734853 0.79 ABL1 (0.65) LMNARAB9ANPC1KDM4EALDH1A1
SCHEMBL14970871 0.78 RAB9A (0.74) LMNARAB9ANPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195772-B 1,2, 4-oxadiazole derivative containing 1,3, 4-thiadiazole unit, and preparation method and application thereof 贵州大学 2023-06-30 CN claimed
CN-114195772-A 1,2, 4-oxadiazole derivative containing 1,3, 4-thiadiazole unit and preparation method and application thereof 贵州大学 2022-03-18 CN claimed
CN-114195772-B 1,2, 4-oxadiazole derivative containing 1,3, 4-thiadiazole unit, and preparation method and application thereof 贵州大学 2023-06-30 CN disclosed
CN-114195772-A 1,2, 4-oxadiazole derivative containing 1,3, 4-thiadiazole unit and preparation method and application thereof 贵州大学 2022-03-18 CN disclosed