SCHEMBL1913833

SCHEMBL1913833

Nc1ccccc1C(=O)NN=CCc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
GAA P10253 4/20 0.52
RRM1 P23921 1/20 0.51
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 4/20 0.44
NTRK1 P04629 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.41

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
SCHEMBL1913871 0.77 ALDH1A1 (0.45) KDM4EGAARRM1KMT2AMEN1
SCHEMBL5812806 0.77 POLB (0.56) KDM4EGAAKMT2AMEN1HPGD
SCHEMBL5814788 0.77 POLB (0.56) KDM4EGAAKMT2AMEN1HPGD
SCHEMBL5815125 0.76 ALDH1A1 (0.50) KDM4EKMT2AMEN1TP53CYP2D6
SCHEMBL5809769 0.76 NPC1 (0.61) KDM4EKMT2AMEN1CYP2D6TDP1
SCHEMBL6742388 0.75 TSHR (0.40) KDM4EGAACYP2D6HSD17B10
SCHEMBL25344211 0.74 KDM4E (0.55) KDM4EGAAMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6742950 0.74 IDO1 (0.40) KDM4EGAACYP2D6HSD17B10
SCHEMBL5809245 0.73 KMT2A (0.57) KDM4EKMT2AMEN1HPGDMAPK1
SCHEMBL25620316 0.70 HSPA5 (0.52) KDM4EHPGDCYP3A4CYP2D6HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3151818-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY Case Western Reserve University (US) 2017-04-12 EP disclosed
WO-2015187942-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN RESERVE UNIVERSITY (US) 2015-12-10 WO disclosed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO disclosed
EP-2509596-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS Case Western Reserve University (US) 2012-10-17 EP disclosed
WO-2011071995-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2011-06-16 WO disclosed