SCHEMBL4371898

SCHEMBL4371898

CC(C)(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 2/20 0.45
CYP2D6 P10635 1/20 0.45
FDPS P14324 1/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 2/20 0.42
TRPA1 O75762 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CPA1 P15085 3/20 0.37

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
Phenol SCHEMBL28311359 0.91 FNTA (0.42) SLC6A2TAAR1LMNACYP2D6FDPS
SCHEMBL3293297 0.83 SLC6A2 (0.48) SLC6A2TAAR1LMNACYP2D6FDPS
SCHEMBL5527114 0.82 ACHE (0.43) LMNAALDH1A1CYP3A4MEN1KMT2A
SCHEMBL99082 0.82 FDPS (0.44) SLC6A2LMNAFDPSCYP2C9ALDH1A1
SCHEMBL2838054 0.81 SLC6A2 (0.50) SLC6A2TAAR1LMNACYP2D6FDPS
SCHEMBL10831201 0.80 SLC6A2 (0.55) SLC6A2TAAR1LMNACYP2D6FDPS
SCHEMBL5830105 0.80 ESR1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL97944 0.80 LOXL2 (0.52) CYP2C19CYP2C9CYP1A2ALDH1A1
SCHEMBL10305277 0.80 MAPT (0.37) TAAR1LMNASMN1; SMN2ALDH1A1
SCHEMBL19610232 0.79 FDPS (0.47) SLC6A2TAAR1LMNAFDPSCYP2C19

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-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 WO disclosed
US-4024185-A REDUCTION OF AROMATIC DINITRO COMPOUNDS ALLIED CHEMICAL CORPORATION (US) 1977-05-17 US disclosed