Cyanate

Cyanate

SCHEMBL31367950

N#CO.c1ccc(-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
BCL2L1 Q07817 1/20 0.52
BACE1 P56817 1/20 0.48
CYP2A6 P11509 1/20 0.46
MAPK1 P28482 1/20 0.46
ESR2 Q92731 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
BCAT2 O15382 1/20 0.43
PTGS2 P35354 1/20 0.41
ALOX5 P09917 1/20 0.41
DPP4 P27487 1/20 0.41
ALOX15 P16050 2/20 0.41
MGLL Q99685 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 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
2-Phenylphenol SCHEMBL7108716 0.85 HPGD (0.77) ALDH1A1HSD17B10HPGDBCL2L1BACE1
Biphenyl SCHEMBL10426646 0.85 ALDH1A1 (0.60) ALDH1A1HSD17B10BCL2L1BACE1MAPK1
Biphenyl SCHEMBL583707 0.85 ALDH1A1 (0.60) ALDH1A1HSD17B10BCL2L1BACE1MAPK1
Water SCHEMBL10589969 0.85 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1BACE1
Water SCHEMBL9138909 0.85 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1BACE1
Boric Acid SCHEMBL5466615 0.82 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDBCL2L1BACE1
Boric Acid SCHEMBL7102116 0.82 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL21447 0.82 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1BACE1
Benzene SCHEMBL28035419 0.82 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL2361430 0.82 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1BACE1

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-119371822-A Resin composition and use thereof 常熟生益科技有限公司 2025-01-28 CN disclosed