SCHEMBL27376299

SCHEMBL27376299

CC(=O)NC(=O)c1cccc(I)c1OI

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ TOP1 P11387 1/20 0.31

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
SCHEMBL27452471 0.85 MAPK1 (0.36) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL28415607 0.79 MEN1 (0.56) MEN1KMT2ATDP1POLBLMNA
SCHEMBL27531993 0.77 KCNK3 (0.44) TDP1ALDH1A1GAAMAPK1NPC1
SCHEMBL7759742 0.76 MEN1 (0.68) MEN1KMT2ATDP1POLBLMNA
SCHEMBL27362439 0.76 MTNR1A (0.37) POLBLMNAALDH1A1KDM4ETSHR
SCHEMBL606645 0.75 ALDH1A1 (0.44) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL8461438 0.75 KMT2A (0.38) MEN1KMT2ATDP1POLBLMNA
SCHEMBL27383642 0.75 CTSD (0.46) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL8460888 0.74 MEN1 (0.37) MEN1KMT2ATDP1POLBLMNA
SCHEMBL5501259 0.74 ALDH1A1 (0.43) MEN1KMT2ATDP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071540-C Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 2001-09-26 — — CN disclosed
CN-1140542-A Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1997-01-22 — — CN disclosed
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