Cyanate

Cyanate

SCHEMBL28147752

CCc1ccccc1-c1ccccc1C.N#CO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
DHFR P00374 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TSHR P16473 1/20 0.36
SHBG P04278 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
SCHEMBL5599467 0.88 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1CSNK2A3FFAR1
Cyanate SCHEMBL28199832 0.80 GABRA1 (0.50) GABRA1GABRB2ALDH1A1LMNAMGLL
SCHEMBL15455843 0.79 HPGD (0.43) FFAR1FFAR4NPC1CASP3RAB9A
SCHEMBL198461 0.77 CSNK2A2 (0.52) CSNK2A2CSNK2BCSNK2A1CSNK2A3DHFR
SCHEMBL8406810 0.76 GABRA1 (0.54) CSNK2A2CSNK2BCSNK2A1CSNK2A3DHFR
SCHEMBL2776956 0.75 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3DHFR
Ethane SCHEMBL3687850 0.75 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3DHFR
SCHEMBL11382359 0.75 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3DHFR
SCHEMBL11206710 0.75 TAAR1 (0.42) CSNK2A2CSNK2BCSNK2A1CSNK2A3DHFR
SCHEMBL8537937 0.75 P2RX7 (0.45) CSNK2A2CSNK2BCSNK2A1CSNK2A3DHFR

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-106675493-A Method for preparing environmentally friendly polyurethane adhesive 江苏国胶化学科技有限公司 2017-05-17 CN disclosed