SCHEMBL27646298

SCHEMBL27646298

COc1cc(OC)c(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.49
▸ STAT1 P42224 1/20 0.49
▸ AMY1A P0DUB6 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HCRTR1 O43613 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TERT O14746 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ PDE2A O00408 1/20 0.30

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
SCHEMBL2800284 0.87 STAT3 (0.46) STAT3STAT1AMY1AKDM4EMEN1
SCHEMBL1945082 0.86 STAT3 (0.54) STAT3STAT1AMY1AKDM4EMEN1
SCHEMBL27840009 0.84 STAT3 (0.46) STAT3STAT1AMY1AKDM4EALDH1A1
SCHEMBL2951397 0.84 STAT3 (0.54) STAT3STAT1KDM4EMEN1ALDH1A1
SCHEMBL2950389 0.81 STAT3 (0.54) STAT3STAT1KDM4EMEN1ALDH1A1
SCHEMBL480529 0.80 STAT3 (0.47) STAT3STAT1AMY1A
SCHEMBL9429844 0.80 STAT3 (0.52) STAT3STAT1KDM4EMAPTGAA
SCHEMBL5576182 0.79 STAT3 (0.51) STAT3STAT1KDM4EALDH1A1GAA
SCHEMBL9590030 0.79 STAT3 (0.60) STAT3STAT1KDM4EALDH1A1MAPT
SCHEMBL2942315 0.79 STAT3 (0.56) STAT3STAT1KDM4EMEN1ALDH1A1

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
CN-1874789-A Conjugates for photodynamic therapy LIGHT SCIENCES CORP (US) 2006-12-06 — — CN disclosed
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