SCHEMBL7040302

SCHEMBL7040302

CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)N1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.76
KMT2A Q03164 3/20 0.65
EZH2 Q15910 8/20 0.65
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
PKM P14618 1/20 0.62
GLA P06280 1/20 0.60
POLB P06746 2/20 0.58
MEN1 O00255 2/20 0.57
CYP2C9 P11712 1/20 0.56

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
SCHEMBL8738169 0.93 EZH2 (0.74) L3MBTL1KMT2AEZH2ALDH1A1LMNA
SCHEMBL169747 0.88 EZH2 (0.80) L3MBTL1KMT2AEZH2PKMGLA
SCHEMBL8738136 0.87 EZH2 (0.75) L3MBTL1KMT2AEZH2ALDH1A1LMNA
SCHEMBL11843656 0.86 L3MBTL1 (1.00) L3MBTL1KMT2AEZH2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL11842228 0.85 L3MBTL1 (0.97) L3MBTL1KMT2AEZH2ALDH1A1LMNA
SCHEMBL7039061 0.84 L3MBTL1 (0.77) L3MBTL1KMT2AEZH2ALDH1A1LMNA
SCHEMBL14679120 0.82 POLB (0.73) L3MBTL1KMT2AEZH2GLAPOLB
SCHEMBL6121185 0.82 EZH2 (0.72) L3MBTL1KMT2AEZH2PKMGLA
SCHEMBL7038879 0.82 GLA (0.70) L3MBTL1KMT2AEZH2GLAPOLB
SCHEMBL9501495 0.81 MEN1 (0.65) L3MBTL1KMT2AEZH2ALDH1A1GLA

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