SCHEMBL11016442

SCHEMBL11016442

CC(=O)Nc1cc(Cl)cc(Cl)c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ HSPA5 P11021 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL9400489 0.79 HSPA5 (0.58) KDM4EHSD17B10ALDH1A1EPHX1HSPA5
SCHEMBL7416727 0.77 HSP90AA1 (0.45) HSPA5CA1CA2CA9LMNA
SCHEMBL13043443 0.76 ALDH1A1 (0.50) KDM4EHSD17B10ALDH1A1LMNAPOLB
SCHEMBL9031190 0.74 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1LMNAPOLB
SCHEMBL29822237 0.73 KDM4E (0.66) KDM4EHSD17B10ALDH1A1EPHX1CA1
SCHEMBL4311940 0.73 KDM4E (0.66) KDM4EHSD17B10ALDH1A1EPHX1CA1
SCHEMBL2388970 0.73 EPHX1 (0.70) KDM4EHSD17B10ALDH1A1EPHX1LMNA
SCHEMBL10899301 0.73 CA1 (0.41) KDM4EHSD17B10ALDH1A1HSPA5CA1
SCHEMBL3782005 0.71 KDM4E (0.68) KDM4EHSD17B10ALDH1A1EPHX1CA1
SCHEMBL9332922 0.70 KDM4E (0.62) KDM4EHSD17B10ALDH1A1EPHX1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0140271-A2 Iodoacetamides BAYER AG (DE) 1985-05-08 — — EP disclosed
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