SCHEMBL23746266

SCHEMBL23746266

CCCCN(C(=O)OC(C)(C)C)c1sc(-c2cccnc2)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL290181 0.90 HSD17B10 (0.43) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL23746263 0.86 S1PR1 (0.53) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL16653370 0.85 KDM4E (0.38) S1PR1L3MBTL1KDM4EALDH1A1CDC7
SCHEMBL16660124 0.84 CYP3A4 (0.44) KDM4ENPC1ALDH1A1CDC7DBF4
SCHEMBL13048159 0.83 CYP1A2 (0.47) S1PR1L3MBTL1KDM4EALDH1A1CDC7
SCHEMBL290820 0.83 PAX8 (0.45) KDM4EALDH1A1CDC7DBF4HSD17B10
SCHEMBL23746265 0.82 S1PR1 (0.51) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL23746268 0.82 S1PR1 (0.49) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL13048877 0.81 L3MBTL1 (0.54) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL23726147 0.80 HSD17B10 (0.48) S1PR1KDM4ENPC1ALDH1A1CDC7

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