SCHEMBL8464700

SCHEMBL8464700

O=Ic1c(C(=O)O)cc2cccc(Cl)c2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ MAPK1 P28482 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FABP3 P05413 2/20 0.37
▸ FABP4 P15090 2/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ NOTUM Q6P988 2/20 0.37
▸ IDO1 P14902 1/20 0.37

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
SCHEMBL8460628 0.76 TSHR (0.49) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8464875 0.73 HSD17B10 (0.38) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8463328 0.73 GRIN2D (0.38) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8464709 0.73 KDM4E (0.41) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL5664709 0.73 ALDH1A1 (0.70) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL6913595 0.71 ALDH1A1 (0.68) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL6915788 0.71 ALDH1A1 (0.68) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL6916678 0.71 ALDH1A1 (0.68) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL6916880 0.71 ALDH1A1 (0.68) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL6916682 0.71 ALDH1A1 (0.68) TSHRALDH1A1MEN1KMT2AHSD17B10

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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