SCHEMBL200697

SCHEMBL200697

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP6 P55212 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CASP3 P42574 1/20 0.32
SUMO2 P61956 1/20 0.30
SUMO1 P63165 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP3 Q9H4L4 1/20 0.30
SENP2 Q9HC62 1/20 0.30
SENP1 Q9P0U3 1/20 0.30
NSD2 O96028 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
SCHEMBL200728 0.84 CYP2D6 (0.39) CASP3
SCHEMBL12264686 0.73 TET2 (0.30)
SCHEMBL12252424 0.72 FABP4 (0.32) ALDH1A1
SCHEMBL17121317 0.70 ALDH1A1 (0.33) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
SCHEMBL136734 0.70 MEN1 (0.44) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
SCHEMBL14695213 0.69 MEN1 (0.43) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
SCHEMBL3899723 0.68 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
SCHEMBL633391 0.67 MPL (0.33) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
Hydrochloric Acid SCHEMBL11165914 0.66 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
SCHEMBL3816121 0.66 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10

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