SCHEMBL24037619

SCHEMBL24037619

CC(C)C(=O)NNC(=O)c1csc(Oc2ccc(N)c(F)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
GCK P35557 5/20 0.38
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
TLR7 Q9NYK1 5/20 0.35
SLC8A1 P32418 3/20 0.35
ALPL P05186 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL29834721 0.81 ABCB1 (0.43) KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL23355309 0.76 RAB9A (0.51) KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL23368138 0.70 HSD17B10 (0.47) KDM4EALDH1A1GCKSMN1; SMN2
SCHEMBL21612796 0.69 SHMT1 (0.40) KDM4EALDH1A1GCKSMN1; SMN2
SCHEMBL24037369 0.69 ALDH1A1 (0.34) ALDH1A1GCK
Hydrochloric Acid SCHEMBL30203152 0.69 HSD17B10 (0.46) KDM4EALDH1A1GCKSMN1; SMN2
SCHEMBL24037618 0.67 PIM1 (0.32) ALDH1A1
SCHEMBL29834712 0.67 KDR (0.41) ALDH1A1SLC8A1SMN1; SMN2
SCHEMBL23355313 0.67 GCK (0.36) KDM4EALDH1A1GCKSMN1; SMN2
SCHEMBL23355335 0.67 LMNA (0.41) SLC8A1SMN1; SMN2

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
WO-2021231400-A1 BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-11-18 WO disclosed