SCHEMBL8464938

SCHEMBL8464938

O=Ic1ccc2c(Br)cccc2c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.49
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
PARP1 P09874 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PNMT P11086 1/20 0.33
TYMS P04818 1/20 0.33
FABP4 P15090 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
SCHEMBL8462975 0.81 CA12 (0.48) MEN1KMT2APARP1CA12CA1
SCHEMBL8460194 0.80 CES2 (0.38) MEN1KMT2ACA12CA1CA2
SCHEMBL8461034 0.80 CYP1A2 (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL8464684 0.80 CYP1A2 (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL8461325 0.79 FOLH1 (0.42) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL8459924 0.76 ALDH1A1 (0.37) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8459821 0.76 CA12 (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL8461200 0.76 TTR (0.46) MEN1KMT2ACA12CA1CA2
SCHEMBL30949545 0.76 PRNP (0.51) PRNPMEN1KMT2APARP1CA12
SCHEMBL8460921 0.75 PRNP (0.44) PRNPMEN1KMT2APARP1CA12

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