SCHEMBL5819789

SCHEMBL5819789

COc1cccc(-c2nc3cccc(N)c3nc2-c2cccc(OC)c2OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ GAA P10253 3/20 0.46
▸ MGAM O43451 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NQO2 P16083 3/20 0.44
▸ ACHE P22303 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ PIK3CD O00329 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ HCK P08631 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 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
SCHEMBL27575667 0.80 GAA (0.43) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL28410071 0.75 MGAM (0.49) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL13732793 0.74 GAA (0.54) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL30170729 0.73 ALDH1A1 (0.57) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL17927356 0.73 ALDH1A1 (0.57) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL2865549 0.72 KDM4E (0.61) ALDH1A1KDM4ELMNASMN1; SMN2ADORA2A
SCHEMBL28884147 0.72 MGAM (0.51) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL210128 0.70 ALDH1A1 (0.62) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL28149068 0.70 ALDH1A1 (0.62) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL196440 0.70 MGAM (0.55) ALDH1A1GAAMGAMSIMGAM2

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
EP-1361244-B1 Poly(5-aminoquinoxalines); preparation and use thereof NISSAN CHEMICAL IND LTD (JP) 2006-10-18 — — EP disclosed
US-6822069-B2 CAN BE APPLIED AS AN ACTIVE SUBSTANCE OR AN ELECTRODE MATERIAL FOR A BATTERY, AN ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, A SEMICONDUCTOR, AND A NONLINEAR-TYPE OPTICAL MATERIAL NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-11-23 — — US disclosed
US-20030215701-A1 Poly (5-aminoquinoxalines) and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-20 — — US disclosed
EP-1361244-A1 Poly(5-aminoquinoxalines); preparation and use thereof NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2003-11-12 — — EP disclosed
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