SCHEMBL2490434

SCHEMBL2490434

OC(C1=NCCN1)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
RECQL P46063 1/20 0.46
AOC3 Q16853 1/20 0.41
ADRA2A P08913 5/20 0.41
ADRA2B P18089 5/20 0.41
ADRA2C P18825 5/20 0.41
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
PTGIR P43119 1/20 0.38

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
Hydrochloric Acid SCHEMBL2490432 0.98 LMNA (0.49) LMNARECQLAOC3ADRA2AADRA2B
SCHEMBL11830821 0.82 ADRA2A (0.57) ADRA2AADRA2BADRA2CNISCH
SCHEMBL953759 0.76 ADRA2B (0.46) LMNARECQLADRA2AADRA2BADRA2C
SCHEMBL11630267 0.74 LMNA (0.41) LMNARECQLADRA2AADRA2BADRA2C
SCHEMBL11340907 0.73 MEN1 (0.43) SLC6A4
Hydrochloric Acid SCHEMBL11338924 0.72 MEN1 (0.45) ADRA2AADRA2BADRA2CSLC6A4
SCHEMBL11631794 0.71 ADRA2B (0.51) LMNAADRA2AADRA2BADRA2CHTR1A
SCHEMBL11630523 0.70 CNR1 (0.42) LMNARECQLADRA2AADRA2BADRA2C
SCHEMBL11630701 0.70 L3MBTL1 (0.46) LMNARECQLADRA2AADRA2BADRA2C
SCHEMBL11629375 0.70 CYP19A1 (0.41) LMNARECQLADRA2AADRA2BADRA2C

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