Cyanate

Cyanate

SCHEMBL28199832

CCc1ccccc1CC.N#CO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 4/20 0.50
MGLL Q99685 1/20 0.45
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.36
HTR1A P08908 1/20 0.36
CLCN2 P51788 1/20 0.36

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
Water SCHEMBL5700740 0.86 GABRA1 (0.55) GABRA1GABRB2MGLLALDH1A1MAPT
Hydrogen Peroxide SCHEMBL10890655 0.83 GABRA1 (0.60) GABRA1GABRB2MGLLALDH1A1MAPT
Hydrogen Peroxide SCHEMBL11205186 0.83 GABRA1 (0.60) GABRA1GABRB2MGLLALDH1A1MAPT
Nitrogen SCHEMBL27542451 0.83 GABRA1 (0.52) GABRA1GABRB2MGLLALDH1A1MAPT
SCHEMBL25425763 0.83 GABRA1 (0.58) GABRA1GABRB2MGLLALDH1A1MAPT
SCHEMBL29390847 0.83 GABRA1 (0.58) GABRA1GABRB2MGLLALDH1A1MAPT
SCHEMBL36294 0.83 GABRA1 (0.58) GABRA1GABRB2MGLLALDH1A1MAPT
SCHEMBL956458 0.80 ALDH1A1 (0.52) GABRA1GABRB2MGLLCYP1A1CYP1A2
SCHEMBL31686029 0.80 ALDH1A1 (0.52) GABRA1GABRB2MGLLCYP1A1CYP1A2
Ammonia Solution, Strong SCHEMBL2638008 0.80 GABRA1 (0.55) GABRA1GABRB2MGLLALDH1A1MAPT

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
CN-105358602-B modified resin and resin composition 旭化成株式会社 2018-12-04 CN disclosed
CN-107629183-A Modified resin and resin combination 旭化成株式会社 2018-01-26 CN disclosed