SCHEMBL7259668

SCHEMBL7259668

Cc1cc(-c2ccc(S)cc2)c(-c2ccc(C(F)(F)F)cc2)c(=O)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
MAPT P10636 2/20 0.43
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.37
BACE1 P56817 1/20 0.36
NFE2L2 Q16236 1/20 0.36
NOTUM Q6P988 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP2A7 P20853 1/20 0.35
CYP3A7 P24462 1/20 0.35

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
SCHEMBL7259692 0.83 PTGS2 (0.67) PTGS2
SCHEMBL9259828 0.71 PTGS2 (0.61) PTGS2MAPTMAOBMAOABACE1
SCHEMBL1765830 0.68 KIF11 (0.61) MAOB
SCHEMBL2652679 0.68 KIF11 (0.42) PTGS2MAPTCYP1A2
SCHEMBL5709027 0.68 PTGS2 (0.64) PTGS2
SCHEMBL12111214 0.67 MAPT (0.49) PTGS2MAPTMAOBMAOABACE1
SCHEMBL7024957 0.67 PTGS2 (0.49) PTGS2
SCHEMBL415546 0.66 ALDH1A1 (0.50)
SCHEMBL5708965 0.66 PTGS2 (0.65) PTGS2
SCHEMBL6976437 0.65 PTGS2 (1.00) PTGS2

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
WO-2003006451-A1 4-PHENYLPYRAN-2-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2003-01-23 WO claimed