SCHEMBL11124878

SCHEMBL11124878

O=C(NCc1ccccc1Cl)C(I)=C(I)I

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.53
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GABRP O00591 1/20 0.50
▸ GABRD O14764 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50
▸ GABRG2 P18507 1/20 0.50
▸ GABRB3 P28472 1/20 0.50
▸ GABRA5 P31644 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ GABRB2 P47870 1/20 0.50

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
SCHEMBL11126742 0.87 NPC1 (0.60) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL11126739 0.87 NPC1 (0.60) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL11123791 0.81 ALDH1A1 (0.52) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL11123072 0.80 ALDH1A1 (0.57) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL30858769 0.78 NPC1 (1.00) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL25375732 0.78 NPC1 (0.66) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL3561653 0.77 NPC1 (0.75) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL11126779 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL11589808 0.75 NPC1 (0.72) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL23805061 0.75 NPC1 (0.72) NPC1RAB9AALDH1A1KMT2AMEN1

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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