SCHEMBL200728

SCHEMBL200728

C=C1C(C)=Nc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)NCCS(=O)(=O)O)cc3c21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CASP3 P42574 2/20 0.33
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL200697 0.84 ALDH1A1 (0.33) CASP3
SCHEMBL178269 0.77 CYP2D6 (0.39) CYP2D6IKBKBCHUKKMT2A
SCHEMBL178272 0.71 CYP2D6 (0.40) CYP2D6IKBKBCHUKKMT2A
SCHEMBL101351 0.69 CYP2D6 (0.38) CYP2D6IKBKBCHUKKMT2A
SCHEMBL10127992 0.69 CYP2D6 (0.38) CYP2D6IKBKBCHUKKMT2A
SCHEMBL101643 0.68 CYP2D6 (0.37) CYP2D6KMT2A
SCHEMBL12264686 0.65 TET2 (0.30)
SCHEMBL14066337 0.63 CYP2D6 (0.70) CYP2D6KMT2A
SCHEMBL12252424 0.62 FABP4 (0.32)
SCHEMBL133416 0.60 FOLH1 (0.32)

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-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed