SCHEMBL2317239

SCHEMBL2317239

C=C(CCNC(=O)Oc1ccc(Br)cc1Br)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
CTSL P07711 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ATM Q13315 1/20 0.38
HTR1B P28222 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MGLL Q99685 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
NCEH1 Q6PIU2 2/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2317527 0.87 KDM4E (0.45) LMNASMN1; SMN2ALDH1A1TDP1NPC1
SCHEMBL2315823 0.87 KDM4E (0.46) LMNASMN1; SMN2ALDH1A1TDP1NPC1
SCHEMBL2317049 0.84 KDM4E (0.42) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2314524 0.81 MGLL (0.56) SMN1; SMN2MGLLNPC1RAB9AKDM4E
SCHEMBL2319621 0.80 KDM4E (0.47) LMNASMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL2319328 0.79 KMT2A (0.53) ALDH1A1KDM4EKMT2A
SCHEMBL7524447 0.76 HTR1B (0.53) LMNACTSLSMN1; SMN2HTR1BALDH1A1
SCHEMBL453710 0.75 HTR1B (0.52) LMNASMN1; SMN2HTR1BALDH1A1TDP1
SCHEMBL17350670 0.74 MEN1 (0.38) LMNACTSLSMN1; SMN2ATMALDH1A1
SCHEMBL2320800 0.73 FABP7 (0.38) LMNASMN1; SMN2L3MBTL1MGLLNPC1

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-2354845-B1 Photopolymer Composition for the Manufacturing of Holographic Media COVESTRO DEUTSCHLAND AG (DE) 2015-12-23 EP claimed
EP-2354845-B1 Photopolymer Composition for the Manufacturing of Holographic Media COVESTRO DEUTSCHLAND AG (DE) 2015-12-23 EP disclosed
EP-2354845-A1 (Meth)acrylate writing monomers Bayer MaterialScience AG (DE) 2011-08-10 EP disclosed