SCHEMBL2489636

SCHEMBL2489636

O=C(CCl)Nc1ncncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
HTT P42858 6/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 5/20 0.42
NPC1 O15118 3/20 0.42
MITF O75030 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
EGFR P00533 2/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOD2 Q9HC29 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9948617 0.81 LMNA (0.46) ALDH1A1HTTKDM4ELMNARAB9A
SCHEMBL1088030 0.81 LMNA (0.41) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL1430518 0.80 HTT (0.64) ALDH1A1HTTKDM4ELMNANPC1
SCHEMBL3675918 0.77 EPHX2 (0.47) HTTKDM4ELMNAKMT2AEPHX2
SCHEMBL25333664 0.77 KDM4E (0.44) ALDH1A1HTTKDM4ELMNANPC1
SCHEMBL4251073 0.76 LMNA (0.38) ALDH1A1HTTLMNANPC1GAA
SCHEMBL25332722 0.75 KDM4E (0.42) ALDH1A1HTTKDM4ELMNANPC1
SCHEMBL25332982 0.75 ALDH1A1 (0.50) ALDH1A1HTTKDM4ELMNANPC1
SCHEMBL29029294 0.75 EPHX2 (0.40) HTTLMNARAB9AGAAEGFR
SCHEMBL1433052 0.75 P2RX7 (0.47) ALDH1A1HTTKDM4ELMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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