SCHEMBL1913871

SCHEMBL1913871

Nc1ccccc1C(=O)NN=CCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 7/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
FADS1 O60427 2/20 0.45
RRM1 P23921 1/20 0.44
HDAC1 Q13547 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1913833 0.77 KDM4E (0.52) ALDH1A1KDM4ERAB9ANPC1RRM1
SCHEMBL14727423 0.75 ALDH1A1 (0.73) ALDH1A1KDM4ERAB9ANPC1HPGD
SCHEMBL1638617 0.74 KMT2A (0.59) ALDH1A1KDM4ERAB9ANPC1FADS1
SCHEMBL12766742 0.74 KMT2A (0.59) ALDH1A1KDM4ERAB9ANPC1FADS1
SCHEMBL1638615 0.74 KMT2A (0.59) ALDH1A1KDM4ERAB9ANPC1FADS1
SCHEMBL17241597 0.72 MAPT (0.72) ALDH1A1KDM4ERAB9ANPC1HPGD
SCHEMBL11302560 0.70 KMT2A (0.56) ALDH1A1KDM4ERAB9ANPC1MAPT
SCHEMBL13834567 0.70 RAB9A (0.72) ALDH1A1KDM4ERAB9ANPC1HPGD
SCHEMBL13834568 0.70 RAB9A (0.72) ALDH1A1KDM4ERAB9ANPC1HPGD
SCHEMBL1961988 0.69 FADS1 (0.73) ALDH1A1KDM4ERAB9ANPC1FADS1

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