SCHEMBL2493946

SCHEMBL2493946

O=C1c2ccccc2C2=NCCN12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.62
RAD52 P43351 1/20 0.62
UHRF1 Q96T88 1/20 0.62
PTAFR P25105 13/20 0.53
SMARCA2 P51531 1/20 0.51
HDAC4 P56524 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
EED O75530 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL10869646 0.78 ALDH1A1 (0.43) DNMT1RAD52UHRF1MEN1KMT2A
SCHEMBL9649881 0.75 PIK3CB (0.58) DNMT1RAD52UHRF1PTAFRSMARCA2
SCHEMBL7329166 0.73 DNMT1 (0.57) DNMT1RAD52UHRF1PTAFRSMARCA2
SCHEMBL8479084 0.73 DNMT1 (0.57) DNMT1RAD52UHRF1PTAFRSMARCA2
SCHEMBL11688553 0.70 PIK3CB (0.44) DNMT1RAD52UHRF1HDAC4HDAC8
SCHEMBL6326383 0.70 CASP3 (0.44) DNMT1RAD52UHRF1PTAFR
SCHEMBL5322696 0.70
SCHEMBL9694303 0.69 PTAFR (1.00) PTAFREED
SCHEMBL11477847 0.69 TSHR (0.56) DNMT1RAD52UHRF1MEN1KMT2A
SCHEMBL10465075 0.69 CYP2D6 (0.56) MEN1KMT2A

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