SCHEMBL20610690

SCHEMBL20610690

COc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)CC4)cc1CN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL27829596 0.95 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HSD17B10MAPTGAA
SCHEMBL27765963 0.86 KDM4E (0.44) ALDH1A1MAPTL3MBTL1KDM4EDRD2
SCHEMBL2951395 0.74 ALOX5 (0.43) ALDH1A1SMN1; SMN2HSD17B10MAPTGAA
SCHEMBL18670789 0.73 STAT3 (0.32) —
SCHEMBL27809098 0.72 GABRA1 (0.33) —
SCHEMBL9404986 0.70 STAT3 (0.45) —
SCHEMBL2950385 0.68 BRD4 (0.40) ALDH1A1SMN1; SMN2MAPTGAALMNA
SCHEMBL3237435 0.68 MGAM (0.36) MAPTGAARXFP1
SCHEMBL31471705 0.67 CDC25A (0.37) HSD17B10GAAL3MBTL1KDM4E
SCHEMBL8003382 0.66 NPC1 (0.40) ALDH1A1SMN1; SMN2HSD17B10MAPTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200282076-A1 AMPHIPHILIC DYE-COATED INORGANIC NANOPARTICLE CLUSTERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-09-10 — — US claimed
WO-2019010329-A1 AMPHIPHILIC DYE-COATED INORGANIC NANOPARTICLE CLUSTERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2019-01-10 — — WO claimed
US-20200282076-A1 AMPHIPHILIC DYE-COATED INORGANIC NANOPARTICLE CLUSTERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-09-10 — — US disclosed
WO-2019010329-A1 AMPHIPHILIC DYE-COATED INORGANIC NANOPARTICLE CLUSTERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2019-01-10 — — WO disclosed
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