SCHEMBL7038879

SCHEMBL7038879

Cc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.70
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
L3MBTL1 Q9Y468 3/20 0.66
POLB P06746 1/20 0.57
HSD17B10 Q99714 1/20 0.56
CYP2C9 P11712 1/20 0.56
EZH2 Q15910 6/20 0.54
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.50

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
SCHEMBL9501495 0.87 MEN1 (0.65) GLAMEN1KMT2AL3MBTL1POLB
SCHEMBL240523 0.83 TSHR (0.63) MEN1KMT2APOLBCYP2C9TSHR
SCHEMBL7040302 0.82 L3MBTL1 (0.76) GLAMEN1KMT2AL3MBTL1POLB
SCHEMBL7039061 0.81 L3MBTL1 (0.77) GLAMEN1KMT2AL3MBTL1POLB
SCHEMBL12443203 0.80 LMNA (0.62) MEN1KMT2APOLBCYP2C9TSHR
SCHEMBL11843656 0.80 L3MBTL1 (1.00) GLAMEN1KMT2AL3MBTL1POLB
SCHEMBL169747 0.79 EZH2 (0.80) GLAMEN1KMT2AL3MBTL1POLB
Hydrochloric Acid SCHEMBL11842228 0.79 L3MBTL1 (0.97) GLAMEN1KMT2AL3MBTL1POLB
SCHEMBL14679120 0.76 POLB (0.73) GLAMEN1KMT2AL3MBTL1POLB
SCHEMBL310763 0.76 KMT2A (0.82) GLAMEN1KMT2AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1052248-B1 Process for the preparation of aqueous solutions of diazonium salts CLARIANT GMBH (DE) 2003-03-19 EP disclosed
US-6207809-B1 CATALYTIC HYDROGENATION USING THE CORRESPONDING NITRO COMPOUND CLARIANT GMBH (DE) 2001-03-27 US disclosed
EP-1052248-A1 Process for the preparation of aqueous solutions of diazonium salts Clariant GmbH (DE) 2000-11-15 EP disclosed