SCHEMBL3822129

SCHEMBL3822129

O=C1NC(=O)C(c2cccc(F)c2)=C1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.57
GSK3B P49841 6/20 0.47
GRM5 P41594 1/20 0.45
STK10 O94804 2/20 0.44
SLK Q9H2G2 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
QPCT Q16769 1/20 0.43
NOTUM Q6P988 1/20 0.42

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
SCHEMBL3818590 0.84 GSK3B (0.51) GSK3BSTK10SLK
SCHEMBL6858139 0.82 STK10 (0.46) PTGS2GSK3BGRM5STK10SLK
SCHEMBL18049431 0.82 STK10 (0.46) PTGS2GSK3BSTK10SLK
SCHEMBL114611 0.82 PTGS2 (0.67) PTGS2GSK3B
SCHEMBL18049419 0.80 PTGS2 (0.60) PTGS2GSK3BGRM5
SCHEMBL1133537 0.80 PTGS2 (0.57) PTGS2GSK3B
SCHEMBL9474080 0.80 PTGS2 (0.64) PTGS2GSK3B
SCHEMBL12424864 0.79 NOTUM (0.44) GRM5STK10SLKLMNAHPGD
SCHEMBL18049412 0.79 PTGS2 (0.59) PTGS2GSK3B
SCHEMBL18049416 0.78 CAMK2D (0.62) PTGS2GSK3BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091531-A2 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT Congenia S.r.l. (IT) 2009-08-26 EP claimed
WO-2008067863-A2 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT CONGENIA S.R.L. (IT) 2008-06-12 WO claimed