SCHEMBL28112015

SCHEMBL28112015

NC(N)OC(=O)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 1/20 0.55
PAM P19021 1/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
AKR1B1 P15121 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
SLC7A5 Q01650 2/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL28182952 0.85 TSHR (0.73) TSHRL3MBTL1MAPK1ALDH1A1PAM
SCHEMBL27571934 0.85 TSHR (0.73) TSHRL3MBTL1MAPK1ALDH1A1PAM
SCHEMBL28182067 0.85 TSHR (0.73) TSHRL3MBTL1MAPK1ALDH1A1PAM
Hydrochloric Acid SCHEMBL28054031 0.83 TSHR (0.71) TSHRL3MBTL1MAPK1ALDH1A1PAM
Hydrochloric Acid SCHEMBL28053907 0.83 TSHR (0.71) TSHRL3MBTL1MAPK1ALDH1A1PAM
Hydrochloric Acid SCHEMBL28053904 0.83 TSHR (0.71) TSHRL3MBTL1MAPK1ALDH1A1PAM
SCHEMBL27707236 0.83 TSHR (0.61) TSHRL3MBTL1MAPK1ALDH1A1PAM
SCHEMBL4363372 0.80 TSHR (0.67) TSHRL3MBTL1MAPK1ALDH1A1PAM
SCHEMBL873430 0.80 TSHR (1.00) TSHRL3MBTL1MAPK1ALDH1A1PAM
SCHEMBL29087553 0.80 TSHR (0.67) TSHRL3MBTL1MAPK1ALDH1A1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146353-A A kind of preparation method of methyl phenyl carbamate 中国科学院过程工程研究所 2016-11-23 CN disclosed