SCHEMBL8460406

SCHEMBL8460406

Cc1ccc(I(=O)=O)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.57
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NOTUM Q6P988 2/20 0.43
▸ GFER P55789 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41

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
SCHEMBL8460483 0.78 CA12 (0.57) MEN1KMT2AALDH1A1GFERHSD17B10
SCHEMBL8464941 0.78 KDM4E (0.48) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL8463243 0.77 KMT2A (0.38) CSNK2A1MEN1KMT2AALDH1A1GFER
SCHEMBL31627797 0.76 CSNK2A1 (0.68) CSNK2A1MEN1KMT2AALDH1A1NOTUM
SCHEMBL467550 0.76 CSNK2A1 (0.68) CSNK2A1MEN1KMT2AALDH1A1NOTUM
SCHEMBL8464933 0.76 ALDH1A1 (0.59) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8464427 0.76 KDM4E (0.55) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8462809 0.76 KEAP1 (0.55) MEN1KMT2AALDH1A1NOTUMKDM4E
SCHEMBL8464799 0.76 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL223101 0.74 CSNK2A1 (0.65) CSNK2A1MEN1KMT2AALDH1A1NOTUM

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
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