SCHEMBL23746265

SCHEMBL23746265

CCCCN(C(=O)OC(C)(C)C)c1cnc(-c2cccnc2)s1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL299455 0.89 HSD17B10 (0.48) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL13075086 0.83 HSD17B10 (0.41) L3MBTL1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL291162 0.82 HSD17B10 (0.45) L3MBTL1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL13048600 0.82 HSD17B10 (0.42) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL23746266 0.82 S1PR1 (0.50) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL13048005 0.80 MAPT (0.45) S1PR1KDM4ENPC1MAPK1HSD17B10
SCHEMBL13048090 0.80 HSD17B10 (0.41) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL13048159 0.76 CYP1A2 (0.47) S1PR1L3MBTL1KDM4EALDH1A1MAPK1
SCHEMBL17589802 0.75 HSD17B10 (0.44) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL290376 0.74 CYP1A2 (0.49) S1PR1L3MBTL1KDM4ENPC1ALDH1A1

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
WO-2023224815-A2 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-11-23 WO disclosed
WO-2021158455-A1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-08-12 WO disclosed