SCHEMBL8459358

SCHEMBL8459358

O=Ic1c(C(=O)O)ccc2c(Br)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.53
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
WDR5 P61964 1/20 0.36
LDHA P00338 1/20 0.35
PARP1 P09874 1/20 0.35
TYMS P04818 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FABP4 P15090 1/20 0.35
AHR P35869 1/20 0.35
CDC25B P30305 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8464024 0.81 CDC25B (0.47) KMT2AMEN1NR4A1NR4A2NR4A3
SCHEMBL8464392 0.80 KDM4E (0.44) KMT2AMEN1NR4A1NR4A2NR4A3
SCHEMBL8463308 0.80 TSHR (0.46) KMT2AMEN1NR4A1NR4A2NR4A3
SCHEMBL8464827 0.80 ALB (0.44) NR4A1NR4A2NR4A3WDR5LDHA
SCHEMBL8460585 0.79 HNF4A (0.49) NR4A1NR4A2NR4A3WDR5LDHA
SCHEMBL8460730 0.76 TAS2R14 (0.40) KMT2AMEN1NR4A1NR4A2NR4A3
SCHEMBL8460917 0.76 CDC25B (0.52) KMT2AMEN1KDM4EFABP4CDC25B
SCHEMBL8463827 0.76 TTR (0.46) NR4A1NR4A2NR4A3FABP4ALOX15
SCHEMBL148106 0.76 PRNP (0.76) PRNPKMT2AMEN1NR4A1NR4A2
SCHEMBL31525498 0.76 PRNP (0.56) PRNPKMT2AMEN1NR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745326-B1 Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1999-09-22 EP disclosed
US-5594017-A WITH AN IODOSYL OR IODYL COMPOUND ROHM AND HAAS COMPANY (US) 1997-01-14 US disclosed
EP-0745326-A1 Stabilization of aqueous 3-isothiazolone solutions ROHM AND HAAS COMPANY (US) 1996-12-04 EP disclosed