SCHEMBL17205602

SCHEMBL17205602

N#CCCCC1(O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 5/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 3/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HTT P42858 3/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ELANE P08246 2/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5956271 0.80 KDM4E (0.68) KDM4EPKMALDH1A1CYP2C19MAPT
SCHEMBL4917193 0.70 ELANE (0.50) KDM4EPKMALDH1A1CYP2C19LMNA
SCHEMBL16671883 0.68 ALDH1A1 (0.54) KDM4EALDH1A1CYP2C19MAPTLMNA
SCHEMBL17716635 0.66 ELANE (0.53) ALDH1A1CYP2C19ELANE
SCHEMBL17716645 0.63 ALDH1A1 (0.46) KDM4EALDH1A1CYP2C19MAPTLMNA
Toluene SCHEMBL28627614 0.61 TSHR (0.52) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL29332297 0.61 ELANE (0.50) KDM4EPKMALDH1A1CYP2C19LMNA
SCHEMBL16465590 0.61 KDM4E (0.58) KDM4EPKMALDH1A1CYP2C19MAPT
SCHEMBL4731087 0.60 KDM4E (0.77) KDM4EPKMALDH1A1CYP2C19MAPT
SCHEMBL28847641 0.60 TDP1 (0.68) KDM4EALDH1A1CYP2C19MAPTLMNA

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
US-10053702-B2 Plastidic carbonic anhydrase genes for oil augmentation in seeds with increased DGAT expression E I DU PONT DE NEMOURS AND COMPANY (US) 2018-08-21 US disclosed
US-20170029836-A1 PLASTIDIC CARBONIC ANHYDRASE GENES FOR OIL AUGMENTATION IN SEEDS WITH INCREASED DGAT EXPRESSION CORTEVA AGRISCIENCE LLC 2017-02-02 US disclosed
WO-2015164457-A1 PLASTIDIC CARBONIC ANHYDRASE GENES FOR OIL AUGMENTATION IN SEEDS WITH INCREASED DGAT EXPRESSION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-10-29 WO disclosed