SCHEMBL9561315

SCHEMBL9561315

C=C(C)C(=O)Nc1ccc(C#N)cc1O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.56
CXCR1 P25024 2/20 0.56
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
GPR35 Q9HC97 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
DYRK1A Q13627 1/20 0.38
BACE1 P56817 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TMPRSS4 Q9NRS4 2/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL12464227 0.84 CXCR2 (0.61) CXCR2CXCR1MAPTNPC1POLB
SCHEMBL10957092 0.82 CXCR2 (0.60) CXCR2CXCR1MAPTPOLBRAB9A
SCHEMBL13756121 0.79 MAPT (0.53) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL22200960 0.79 POLB (0.49) CXCR2CXCR1MAPTNPC1POLB
SCHEMBL7515127 0.78 CXCR2 (0.66) CXCR2CXCR1MAPTNPC1POLB
SCHEMBL13921954 0.77 CXCR2 (0.57) CXCR2CXCR1MAPTNPC1POLB
SCHEMBL12468916 0.76 MAPT (0.49) MAPTNPC1POLBRAB9ATDP1
SCHEMBL201980 0.76 RXFP1 (0.57) MAPTPOLBRAB9ATDP1KMT2A
SCHEMBL3710548 0.75 CXCR2 (0.71) CXCR2CXCR1MAPTNPC1POLB
SCHEMBL9621666 0.75 KDM5A (0.53) CXCR2MAPTNPC1POLBRAB9A

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
US-5182183-A Chemical resistance; printing durability MITSUBISHI KASEI CORPORATION (JP) 1993-01-26 US disclosed