SCHEMBL11697442

SCHEMBL11697442

CC(C)CN(Cc1ccccc1)N=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 2/20 0.47
RORC P51449 6/20 0.46
AOC3 Q16853 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.40
NR1I2 O75469 1/20 0.40

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
SCHEMBL3413430 0.82 G6PC1 (0.52) G6PC1AOC3TSHRALDH1A1CA12
SCHEMBL8845671 0.79 LMNA (0.48) G6PC1AOC3TSHRALDH1A1CA12
SCHEMBL9511821 0.74 BCHE (0.51) RORCAOC3SLC6A2SLC6A4TSHR
SCHEMBL14006363 0.74 BCHE (0.51) RORCAOC3SLC6A2SLC6A4TSHR
SCHEMBL11695902 0.73 TDP1 (0.46) G6PC1TSHRMEN1KMT2AALDH1A1
SCHEMBL172668 0.72 TSHR (0.54) AOC3SLC6A2SLC6A4TSHRMEN1
SCHEMBL3195714 0.72 TSHR (0.45) TSHRALDH1A1CA12CA9
SCHEMBL22614351 0.72 CA12 (0.47) G6PC1TSHRMEN1KMT2AALDH1A1
SCHEMBL11182800 0.71 AOC3 (0.67) RORCAOC3SLC6A2SLC6A4TSHR
SCHEMBL7609585 0.71 AOC3 (0.47) RORCAOC3SLC6A2SLC6A4TSHR

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
US-4053317-A N-NITROSO COMPOUND, PHOTOPOLYMERIZABLE COMPOUND TEIJIN LIMITED (JA) 1977-10-11 US claimed
US-4053317-A N-NITROSO COMPOUND, PHOTOPOLYMERIZABLE COMPOUND TEIJIN LIMITED (JA) 1977-10-11 US disclosed