SCHEMBL28056245

SCHEMBL28056245

O=S(=O)(On1nnc2ccccc21)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SIRT2 Q8IXJ6 3/20 0.42
KMT2A Q03164 4/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6273531 0.82 TSHR (0.53) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL2803342 0.79 SLC9A1 (0.55) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL958454 0.79 TSHR (0.50) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL11449443 0.76 TSHR (0.48) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL11449419 0.75 TSHR (0.46) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL5186016 0.75 TSHR (0.46) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL28089016 0.75 TSHR (0.53) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL11449478 0.74 HSD17B10 (0.47) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL11449474 0.74 HSD17B10 (0.47) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL7198576 0.73 TSHR (0.48) SLC9A1TSHRNPSR1RXFP1KMT2A

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-102870047-B Positive radiation-sensitive composition, display element interlayer dielectric and forming method thereof JSR CORP. (JP) 2016-03-02 CN disclosed