SCHEMBL8464421

SCHEMBL8464421

CC(=O)NC(=O)c1cccc(C(C)=O)c1I(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 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
SCHEMBL8461438 0.83 KMT2A (0.38) POLBSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8464336 0.79 ALDH1A1 (0.44) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL8464286 0.77 HTT (0.44) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL8464905 0.77 ALDH1A1 (0.45) POLBALDH1A1KMT2AMEN1HPGD
SCHEMBL8463309 0.76 SMN1; SMN2 (0.41) POLBSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8460620 0.76 MTNR1A (0.33) POLBSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL8460617 0.76 KCNK3 (0.45) MAPK1ALDH1A1NPC1
Phosphoric Acid SCHEMBL8464864 0.74 THRB (0.42) POLBSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8463044 0.74 POLB (0.36) POLBSMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL27452471 0.72 MAPK1 (0.36) POLBSMN1; SMN2MAPK1ALDH1A1KMT2A

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
Send feedback