SCHEMBL9550653

SCHEMBL9550653

COc1ccc(CNC(=O)C=C(C)c2cccc([N+](=O)[O-])c2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 5/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 5/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 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
SCHEMBL7681992 0.85 SETD7 (0.66) SETD7MEN1KMT2AMAPTGAA
SCHEMBL31546659 0.76 ALDH1A1 (0.58) SETD7MEN1KMT2AMAPTALDH1A1
SCHEMBL16979582 0.75 ALDH1A1 (0.60) SETD7MEN1KMT2AMAPTALDH1A1
SCHEMBL16971093 0.75 ALDH1A1 (0.60) SETD7MEN1KMT2AMAPTALDH1A1
SCHEMBL5072126 0.72 MAPT (0.70) SETD7MEN1KMT2AMAPTGAA
SCHEMBL14087960 0.71 ALDH1A1 (0.72) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL30791550 0.71 PTPN1 (0.61) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL2920013 0.71 ALDH1A1 (0.66) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5757234 0.71 ALDH1A1 (0.66) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5757238 0.71 ALDH1A1 (0.66) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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