SCHEMBL22150386

SCHEMBL22150386

CNC/C=C/CNc1c(N)cc(C(N)=O)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
BPTF Q12830 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35

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
SCHEMBL19451673 0.95 HTT (0.43) HTTTSHRAPOBEC3AAPOBEC3GBPTF
SCHEMBL23137476 0.90 HTT (0.40) HTTTSHRAPOBEC3AAPOBEC3GBPTF
SCHEMBL29868210 0.88 TSHR (0.40) HTTTSHRAPOBEC3AAPOBEC3GBPTF
SCHEMBL19437548 0.88 HTT (0.38) HTTTSHRAPOBEC3AAPOBEC3GBPTF
SCHEMBL19437549 0.88 HTT (0.38) HTTTSHRAPOBEC3AAPOBEC3GBPTF
SCHEMBL22288356 0.86 MAPK1 (0.39) HTTTSHRAPOBEC3AAPOBEC3GBPTF
SCHEMBL28751992 0.86 MAPK1 (0.39) HTTTSHRAPOBEC3AAPOBEC3GBPTF
SCHEMBL22121446 0.85 MAPK1 (0.43) HTTMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL22121346 0.85 BPTF (0.41) HTTTSHRAPOBEC3AAPOBEC3GBPTF
SCHEMBL22121358 0.84 BPTF (0.40) HTTTSHRAPOBEC3AAPOBEC3GBPTF

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed