SCHEMBL2317049

SCHEMBL2317049

C=C(CCNC(=O)Oc1ccccc1Br)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
NCEH1 Q6PIU2 2/20 0.39
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CES2 O00748 1/20 0.35
TSHR P16473 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
SCHEMBL2317239 0.84 LMNA (0.40) KDM4EKMT2ARAB9ANPC1NCEH1
SCHEMBL2320800 0.83 FABP7 (0.38) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL2322172 0.82 KDM4E (0.46) KDM4EMEN1KMT2ASMN1; SMN2GAA
SCHEMBL2315823 0.82 KDM4E (0.46) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL2316314 0.81 TAAR1 (0.49) RAB9ANPC1TAAR1GAA
SCHEMBL2316714 0.80 HPGD (0.38) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL20627310 0.79 SMN1; SMN2 (0.45) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL2314524 0.77 MGLL (0.56) KDM4ERAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL2317527 0.76 KDM4E (0.45) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL17825873 0.76 NCEH1 (0.49) KMT2ANCEH1GAAALDH1A1MAPT

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