SCHEMBL22300078

SCHEMBL22300078

Cc1ccc(-c2sc(B3OC(C)(C)C(C)(C)O3)cc2-c2ccncc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.40
▸ GCGR P47871 1/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL22299902 0.93 MAPK14 (0.41) MAPK14KDM4ELPLLIPG
SCHEMBL22299971 0.79 LIPG (0.47) NPC1KDM4ESMN1; SMN2LPLLIPG
Ammonia Solution, Strong SCHEMBL28495870 0.78 LIPG (0.46) NPC1KDM4ESMN1; SMN2LPLLIPG
SCHEMBL22299905 0.75 CYP2A6 (0.41) LPLLIPGALDH1A1
SCHEMBL14305806 0.66 LIPG (0.49) LPLLIPG
SCHEMBL1372253 0.66 LIPG (0.67) SMN1; SMN2LPLLIPG
SCHEMBL22299904 0.66 KDM4E (0.38) NPC1RAB9AKDM4ESMN1; SMN2LPL
SCHEMBL17277084 0.65 LIPG (0.40) LPLLIPG
SCHEMBL16546111 0.65 — —
SCHEMBL23542856 0.65 MAPK14 (0.77) MAPK14GCGR

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-2020159249-A1 COMPOSITION, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE 엘티소재주식회사 2020-08-06 — — WO disclosed
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