SCHEMBL2491908

SCHEMBL2491908

CCOC(=O)/C(C#N)=C\Nc1ccc2oc(C)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.56
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 6/20 0.50
RAB9A P51151 6/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
STAT1 P42224 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
MIF P14174 1/20 0.45
PKM P14618 1/20 0.43

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
SCHEMBL2491910 1.00 DHODH (0.56) DHODHALDH1A1MAPTKDM4ERAB9A
SCHEMBL6926755 0.77 MAPT (0.47) DHODHALDH1A1MAPTKDM4ERAB9A
SCHEMBL6926751 0.77 MAPT (0.47) DHODHALDH1A1MAPTKDM4ERAB9A
SCHEMBL20874402 0.77 DHODH (0.55) DHODHALDH1A1MAPTKDM4ERAB9A
SCHEMBL20874403 0.77 DHODH (0.55) DHODHALDH1A1MAPTKDM4ERAB9A
SCHEMBL11806502 0.76 ALDH1A1 (0.66) DHODHALDH1A1MAPTKDM4ERAB9A
SCHEMBL11806491 0.76 ALDH1A1 (0.66) DHODHALDH1A1MAPTKDM4ERAB9A
SCHEMBL4724694 0.75 ALDH1A1 (0.67) DHODHALDH1A1MAPTKDM4ERAB9A
SCHEMBL14314065 0.75 ALDH1A1 (0.67) DHODHALDH1A1MAPTKDM4ERAB9A
SCHEMBL4724693 0.75 ALDH1A1 (0.67) DHODHALDH1A1MAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445826-B1 RADIATION CURABLE INK FORMULATION FLINT GROUP GERMANY GMBH (DE) 2021-07-14 EP disclosed
US-20190106583-A1 RADIATION CURABLE INK FORMULATION FLINT GROUP SWEDEN AB (SE) 2019-04-11 US disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed