SCHEMBL11126187

SCHEMBL11126187

O=C(NCc1cccc(Cl)c1)C(I)=C(I)I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.52
▸ GABRD O14764 1/20 0.52
▸ GABRA1 P14867 1/20 0.52
▸ GABRB1 P18505 1/20 0.52
▸ GABRG2 P18507 1/20 0.52
▸ GABRB3 P28472 1/20 0.52
▸ GABRA5 P31644 1/20 0.52
▸ GABRA3 P34903 1/20 0.52
▸ GABRA2 P47869 1/20 0.52
▸ GABRB2 P47870 1/20 0.52
▸ GABRA4 P48169 1/20 0.52
▸ GABRE P78334 1/20 0.52
▸ GABRA6 Q16445 1/20 0.52
▸ GABRG1 Q8N1C3 1/20 0.52
▸ GABRG3 Q99928 1/20 0.52
▸ GABRQ Q9UN88 1/20 0.52
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.47
▸ APEX1 P27695 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
SCHEMBL11141109 0.88 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11141105 0.88 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11120794 0.81 MMP13 (0.54) NPC1RAB9A
SCHEMBL25780410 0.81 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11125504 0.80 MEN1 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11126779 0.80 ALDH1A1 (0.54) —
SCHEMBL15682811 0.79 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1385664 0.79 NPC1 (0.61) NPC1RAB9AAPEX1
SCHEMBL3552958 0.78 RXFP1 (0.59) NPC1RAB9ARXFP1APEX1
SCHEMBL884912 0.77 NPC1 (0.55) NPC1RAB9ARXFP1APEX1HDAC1

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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