SCHEMBL9550638

SCHEMBL9550638

CNCc1ccc(OC)c(OC)c1.COc1ccc(CN)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.58
▸ POLB P06746 3/20 0.57
▸ ATM Q13315 2/20 0.57
▸ KDM4E B2RXH2 3/20 0.56
▸ HTR7 P34969 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CYP19A1 P11511 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL31114400 0.91 CA2 (0.69) CA2POLBATMKDM4EHTR7
SCHEMBL1034882 0.91 CA2 (0.69) CA2POLBATMKDM4EHTR7
Hydrochloric Acid SCHEMBL10772018 0.89 CA2 (0.67) CA2POLBATMKDM4EHTR7
SCHEMBL19409880 0.87 ATM (0.70) CA2POLBATMKDM4EALDH1A1
SCHEMBL29535675 0.87 ATM (0.70) CA2POLBATMKDM4EALDH1A1
SCHEMBL44393 0.87 ATM (0.70) CA2POLBATMKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9726669 0.85 ATM (0.68) CA2POLBATMKDM4EALDH1A1
SCHEMBL1251841 0.79 CALM1 (0.58) CA2POLBATMKDM4EHTR7
SCHEMBL27925729 0.79 HTR7 (0.59) CA2POLBATMKDM4EHTR7
SCHEMBL8485615 0.79 GAA (0.72) CA2POLBATMKDM4EHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 — — EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 — — WO disclosed
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