SCHEMBL11126779

SCHEMBL11126779

O=C(NCc1ccccc1)C(I)=C(I)I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ GAA P10253 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ EPHX1 P07099 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ PLIN1 O60240 1/20 0.47
▸ PLIN5 Q00G26 1/20 0.47
▸ ABHD5 Q8WTS1 1/20 0.47
▸ PLAAT3 P53816 1/20 0.47

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
SCHEMBL11123350 0.85 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL11123351 0.85 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL3056874 0.83 KMT2A (0.71) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL11125504 0.81 MEN1 (0.61) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL11120382 0.81 SMN1; SMN2 (0.54) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL30589824 0.81 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL11120794 0.80 MMP13 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL11126187 0.80 GABRP (0.52) —
SCHEMBL1867492 0.79 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL8260808 0.79 GAA (0.59) ALDH1A1KMT2AMEN1MAPTGAA

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-0057058-B1 A METHOD OF PRESERVING ORGANIC MATERIALS FROM FUNGAL ATTACK AND A COMPOSITION FOR USE IN SUCH A METHOD SANKYO COMPANY LIMITED (JP) 1984-04-11 — — EP disclosed
US-4421766-A 3-HALO-2,3-DIIODOACRYLIC ACID OR ESTER SANKYO CO., LTD. (JP) 1983-12-20 — — US disclosed
EP-0057058-A1 A method of preserving organic materials from fungal attack and a composition for use in such a method SANKYO COMPANY LIMITED (JP) 1982-08-04 — — EP disclosed
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