SCHEMBL9735627

SCHEMBL9735627

O=S(=O)(O)c1c(O)c2c(c3ccccc13)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
DAPK1 P53355 1/20 0.39
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MPL P40238 3/20 0.33
PADI4 Q9UM07 1/20 0.33
CYP1A2 P05177 1/20 0.33
CTRB1 P17538 1/20 0.33
LDHA P00338 1/20 0.32
POLB P06746 1/20 0.32
RCE1 Q9Y256 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ABCB1 P08183 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9735632 0.85 CYP2D6 (0.41) CYP2D6DAPK1TSHRSMN1; SMN2MPL
SCHEMBL7543033 0.78 CYP2D6 (0.51) CYP2D6DAPK1TSHRSMN1; SMN2MPL
SCHEMBL9548576 0.76 CYP2D6 (0.50) CYP2D6DAPK1TSHRSMN1; SMN2MPL
SCHEMBL28517657 0.76 CYP2D6 (0.50) CYP2D6DAPK1TSHRSMN1; SMN2MPL
SCHEMBL14879315 0.75 TSHR (0.50) CYP2D6DAPK1TSHRSMN1; SMN2MPL
SCHEMBL29975451 0.73 KDM4E (0.39) TSHRPADI4POLBKDM4EMEN1
SCHEMBL2524546 0.73 TSHR (0.48) CYP2D6DAPK1TSHRSMN1; SMN2MPL
SCHEMBL898309 0.72 CYP2D6 (0.46) CYP2D6DAPK1TSHRSMN1; SMN2MPL
SCHEMBL358739 0.72 CYP2D6 (0.46) CYP2D6DAPK1TSHRSMN1; SMN2MPL
SCHEMBL5734148 0.72 DAPK1 (0.51) CYP2D6DAPK1TSHRSMN1; SMN2PADI4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234774-B1 PRECOATING METAL SHEET NIPPON KOKAN KABUSHIKI KAISHA (JP) 1992-05-06 EP disclosed
US-4923762-A THERMOSETTING RESIN AND LUBRICANT ON ONE SURFACE, THERMOSETTING RESIN AND ALUMINUM POWDER ON OTHER SURFACE NKK CORPORATION (JP) 1990-05-08 US disclosed
EP-0352711-A2 Precoated steel sheet for two-piece can NKK CORPORATION (JP) 1990-01-31 EP disclosed
US-4861647-A CURED THERMOSETTING RESIN AND INTERNAL LUBRICANT OF HYDROCARBON WAX MODIFIED BY FLUOROCARBON GROUPS NIPPON KOKAN KABUSHIKI KAISHA (JP) 1989-08-29 US disclosed