SCHEMBL9689658

SCHEMBL9689658

COc1ccc(C=CN(C)C)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 8/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP19A1 P11511 2/20 0.40
PTGS2 P35354 1/20 0.40
MMP14 P50281 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TLR9 Q9NR96 1/20 0.39
VCP P55072 1/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TUBB4A P04350 1/20 0.38

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
SCHEMBL10409069 1.00 KMT2A (0.49) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL13602996 0.88 MAPT (0.46) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL7408707 0.86 PRMT1 (0.49) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL7408714 0.86 PRMT1 (0.49) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL9688781 0.81 MEN1 (0.43) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL10409130 0.81 MEN1 (0.43) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL5071942 0.78 MEN1 (0.56) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1179747 0.77 TDP1 (0.62) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL29396391 0.77 TDP1 (0.62) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL30628910 0.77 MAPT (0.51) KMT2AMEN1MAPTALDH1A1POLB

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-0189473-B1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed