SCHEMBL25205296

SCHEMBL25205296

O=Cc1cc(I)c(OCc2ccccc2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
ERN1 O75460 3/20 0.48
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
APP P05067 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LIPE Q05469 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42

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
SCHEMBL6703657 0.87 ERN1 (0.51) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL3610064 0.83 NPC1 (0.49) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL3606914 0.83 SMN1; SMN2 (0.52) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL16096378 0.83 ERN1 (0.51) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL28855366 0.82 ERN1 (0.59) ERN1APPMAPTNPC1RAB9A
SCHEMBL1609259 0.82 ERN1 (0.59) ERN1APPMAPTNPC1RAB9A
SCHEMBL29901059 0.82 ERN1 (0.59) ERN1APPMAPTNPC1RAB9A
SCHEMBL5646555 0.80 SMN1; SMN2 (0.49) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL29901123 0.80 NPC1 (0.49) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL29901107 0.80 ERN1 (0.56) ERN1CCNB2CDK1CDK4CCNB1

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-4436956-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2024-10-02 EP disclosed
WO-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 WO disclosed
WO-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 WO disclosed