SCHEMBL11127241

SCHEMBL11127241

O=C(NCc1ccc(Cl)cc1Cl)C(I)=C(Br)I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NLRP1 Q9C000 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ERCC1 P07992 3/20 0.48
▸ ERCC4 Q92889 3/20 0.48
▸ EPHX2 P34913 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ P2RX7 Q99572 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ PPARG P37231 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
SCHEMBL11127239 1.00 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1NLRP1TSHR
SCHEMBL11123791 0.88 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1NLRP1TSHR
SCHEMBL11126742 0.82 NPC1 (0.60) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL11126739 0.82 NPC1 (0.60) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL19399635 0.80 ALDH1A1 (0.60) ALDH1A1LMNAMAPK1NLRP1TSHR
SCHEMBL11123275 0.78 MEN1 (0.58) ALDH1A1NPC1RAB9AMAPTTDP1
SCHEMBL11123274 0.78 MEN1 (0.58) ALDH1A1NPC1RAB9AMAPTTDP1
SCHEMBL11141109 0.77 GABRP (0.50) NPC1RAB9A
SCHEMBL11141105 0.77 GABRP (0.50) NPC1RAB9A
SCHEMBL1143386 0.76 ALDH1A1 (0.59) ALDH1A1LMNAMAPK1NLRP1TSHR

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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