SCHEMBL11120591

SCHEMBL11120591

Cc1ccccc1CNC(=O)/C(I)=C(/Br)I

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ KMT2A Q03164 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ LMNA P02545 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ P2RX7 Q99572 1/20 0.46
▸ ASAH1 Q13510 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CA2 P00918 1/20 0.45

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
SCHEMBL11120594 1.00 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AGAAHTT
SCHEMBL11123072 0.87 ALDH1A1 (0.57) ALDH1A1HPGDKMT2AGAAHTT
SCHEMBL11126742 0.81 NPC1 (0.60) ALDH1A1KMT2AHTTNPC1RAB9A
SCHEMBL11126739 0.81 NPC1 (0.60) ALDH1A1KMT2AHTTNPC1RAB9A
SCHEMBL25374338 0.77 ALDH1A1 (0.60) ALDH1A1HPGDKMT2AGAAHTT
SCHEMBL11123350 0.77 KMT2A (0.51) ALDH1A1KMT2AGAALMNAMEN1
SCHEMBL11123351 0.77 KMT2A (0.51) ALDH1A1KMT2AGAALMNAMEN1
SCHEMBL2017132 0.76 ALDH1A1 (0.73) ALDH1A1HPGDKMT2AGAAHTT
SCHEMBL24576210 0.76 ALDH1A1 (0.68) ALDH1A1HPGDKMT2AGAAHTT
SCHEMBL5144070 0.75 ALDH1A1 (0.64) ALDH1A1HPGDKMT2AGAAHTT

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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